data_2crl_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 2crl _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 ' 17' ' ' THR . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.837 0.351 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.8 tp -85.73 122.92 30.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.8 m -133.65 164.92 26.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.5 m -95.79 132.58 40.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.0 mt -120.52 119.64 33.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -93.73 118.82 31.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -123.06 127.68 49.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.54 96.08 10.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.5 t -99.23 129.9 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -78.09 107.35 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.3 mtm -105.74 163.73 12.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.3 p -129.56 -59.35 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 16.7 p -125.88 174.66 8.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' SER . 63.3 tp60 -44.27 -54.17 5.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' GLN . 31.7 t -34.64 -61.9 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.2 m -47.5 -43.13 24.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 30' ' ' GLN . 59.0 t -68.5 -32.68 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.34 -35.51 63.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.59 -45.92 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.8 t -56.3 -43.92 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.165 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -67.24 -48.06 68.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' HA ' ' CB ' ' A' ' 41' ' ' GLN . 13.1 ttmt -58.5 -44.76 89.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.4 p -48.22 -24.36 1.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mt -133.31 18.18 4.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.443 ' CB ' ' HA ' ' A' ' 38' ' ' LYS . 13.2 tt0 -80.11 114.73 19.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 48.22 48.18 26.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.436 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 44' ' ' ALA . 94.2 t -105.3 136.77 37.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 111.137 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.31 124.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.12 -57.48 1.22 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.489 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.0 t -59.68 130.76 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.328 . . . . 0.0 111.149 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -107.21 -29.42 9.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -160.9 155.89 24.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 70.2 t -152.58 123.62 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -110.11 132.43 54.18 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.5 t -121.64 116.86 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -110.27 110.44 21.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tp -78.02 -19.89 53.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -67.87 -41.67 82.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.32 25.15 11.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 38.98 36.63 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.0 mmm -102.0 160.65 14.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.5 t -154.79 105.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -86.54 162.15 18.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 81.7 t -152.58 108.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -89.31 92.41 9.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.8 t -138.26 160.6 39.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.3 p -81.13 -13.0 59.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.4 mt -80.38 152.86 73.68 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.597 0.713 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 160.24 50.44 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.4 p -57.02 -35.91 69.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -62.9 -25.46 68.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -82.6 -49.42 9.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.1 t -66.86 -38.77 82.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -47.71 -46.65 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.93 97.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.6 mt -62.81 -32.84 74.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.57 -40.91 56.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.97 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -68.11 -22.84 64.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.57 -23.18 64.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.9 p -71.57 -24.28 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 111.143 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.97 -11.29 15.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -96.57 168.27 10.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.319 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -98.45 115.16 27.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -98.17 116.1 29.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.8 t -108.9 128.98 64.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 42.9 tp -72.99 123.02 22.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.1 m . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.809 0.338 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.462 HD12 ' CG ' ' A' ' 47' ' ' GLN . 2.1 tt -100.25 125.23 46.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.2 m -133.9 163.39 29.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.7 m -94.52 134.07 37.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.1 mt -120.76 126.99 51.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -101.82 108.16 19.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -111.42 127.04 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.416 ' CB ' ' HE3' ' A' ' 83' ' ' LYS . . . -87.42 97.12 10.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.066 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 26' ' ' GLN . 48.8 t -99.66 137.09 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.401 ' N ' HG12 ' A' ' 25' ' ' VAL . 23.2 tp60 -88.64 103.57 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.443 ' HE2' ' CG2' ' A' ' 58' ' ' VAL . 18.9 mtm -100.69 170.02 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.2 p -129.72 -48.63 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.7 p -140.16 175.29 9.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 31' ' ' SER . 9.2 tp-100 -43.73 -56.46 3.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' GLN . 14.9 t -34.57 -62.95 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.6 m -40.46 -43.74 1.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 30' ' ' GLN . 55.5 t -65.84 -41.01 89.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.125 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.64 -49.95 75.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.07 -54.89 35.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.9 t -47.71 -45.65 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' GLN . 12.0 mtp-105 -66.77 -54.55 21.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -53.76 -32.02 50.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.1 p -67.4 -21.83 65.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.811 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -134.73 20.99 3.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -81.11 116.97 21.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 42.58 36.92 2.47 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 44' ' ' ALA . 89.5 t -87.11 141.46 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 111.13 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.88 117.02 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.059 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.28 -49.73 1.04 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.441 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.8 t -69.6 123.55 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.462 ' CG ' HD12 ' A' ' 18' ' ' LEU . 5.7 pt20 -98.37 -25.69 14.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -164.98 159.81 18.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.8 p -155.75 132.51 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -117.41 144.05 45.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.409 ' CG1' HG11 ' A' ' 33' ' ' VAL . 96.6 t -129.95 113.7 27.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -109.6 103.19 12.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.9 tp -70.16 -34.96 73.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -49.92 -45.38 50.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 56' ' ' GLN . 1.0 OUTLIER -114.91 27.93 9.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' ASP . 3.3 mm-40 37.72 39.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.1 mmm -102.87 159.01 15.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.443 ' CG2' ' HE2' ' A' ' 27' ' ' MET . 96.3 t -155.48 106.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.1 mp -86.74 158.56 19.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 87.8 t -146.7 104.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -88.1 97.58 11.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.451 HG22 ' CG2' ' A' ' 69' ' ' VAL . 12.7 t -144.86 162.87 35.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.9 p -86.98 0.49 55.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.089 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.4 mt -90.29 152.88 46.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.622 0.725 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 144.77 54.87 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.328 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.4 m -44.18 -34.12 1.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -59.26 -51.57 69.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -60.47 -53.54 56.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.451 ' CG2' HG22 ' A' ' 62' ' ' THR . 77.3 t -56.73 -45.6 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -47.77 -42.71 26.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.96 90.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.09 -41.01 97.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.8 mt -67.69 -41.04 84.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -62.67 -25.16 68.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.77 -30.42 72.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 49.1 p -66.15 -24.47 66.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.83 0.347 . . . . 0.0 111.138 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.36 -18.59 10.15 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.528 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -92.89 171.17 9.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -106.33 120.99 43.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.86 111.24 23.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.2 t -101.38 110.22 27.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.2 tp -61.67 129.08 39.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.416 ' HE3' ' CB ' ' A' ' 24' ' ' ALA . 37.0 mmtt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.4 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.849 0.357 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.7 tp -68.78 121.47 16.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 m -133.59 161.96 33.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.462 ' CG2' HD22 ' A' ' 59' ' ' LEU . 11.3 m -91.68 136.33 33.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.05 116.7 18.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.453 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 14.7 mt-10 -88.15 141.03 28.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -143.48 117.6 9.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.29 96.59 4.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.058 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.0 t -97.55 135.44 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -84.13 102.85 12.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.1 mtm -102.79 169.17 8.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.5 p -132.23 -39.66 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.3 p -151.95 175.76 12.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' SER . 41.8 tp60 -42.35 -57.36 2.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' GLN . 25.7 t -37.56 -60.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.841 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.3 m -41.64 -38.56 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.422 HG12 ' NE ' ' A' ' 37' ' ' ARG . 67.7 t -69.71 -43.89 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -52.48 -58.75 5.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.63 -64.15 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 74.7 t -42.65 -50.85 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 41' ' ' GLN . 84.6 mtm180 -59.38 -55.91 28.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -50.47 -42.55 54.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.8 p -57.26 -23.35 47.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 mt -134.1 23.79 3.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 37' ' ' ARG . 24.7 tp60 -86.33 108.39 18.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 50.06 34.84 24.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 44' ' ' ALA . 79.2 t -86.86 142.94 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.835 0.35 . . . . 0.0 111.101 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.75 109.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.03 -48.66 0.93 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.4 t -67.69 122.69 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 111.092 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -97.87 -33.47 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 15.7 m-20 -158.05 161.78 38.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.5 p -153.77 124.94 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -110.09 133.95 52.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.431 HG22 ' CG ' ' A' ' 37' ' ' ARG . 39.2 t -122.0 107.82 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -100.2 101.54 12.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.2 tp -71.04 -29.74 65.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -59.02 -39.94 83.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -116.86 22.83 12.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 41.97 33.33 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.453 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 65.7 mmm -99.36 157.4 16.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.1 t -152.21 108.09 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.462 HD22 ' CG2' ' A' ' 20' ' ' THR . 4.9 mp -89.24 156.71 18.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.432 HG23 ' C ' ' A' ' 59' ' ' LEU . 92.6 t -141.53 107.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -87.84 94.3 9.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.6 t -144.59 162.09 37.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.128 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.6 p -84.26 -6.22 59.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.5 mt -81.3 152.2 70.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.588 0.709 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 145.03 55.86 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.634 2.223 . . . . 0.0 112.389 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -39.96 -32.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -64.7 -52.99 54.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -57.24 -39.7 76.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.1 t -70.54 -53.94 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -42.78 -48.08 5.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.96 89.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.0 mt -56.07 -41.86 75.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.7 mt -66.07 -47.41 74.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -58.38 -25.94 62.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.93 -22.29 62.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 65.5 p -75.07 -23.77 58.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 111.18 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.61 -40.72 1.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -81.23 171.97 14.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -100.09 147.3 25.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -124.29 115.39 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.7 t -98.27 126.18 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.5 tp -72.32 120.8 18.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.812 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.5 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.798 0.332 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.455 ' CD1' ' HG2' ' A' ' 47' ' ' GLN . 2.2 tt -54.15 120.0 5.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 p -132.93 143.81 49.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.403 ' C ' HD12 ' A' ' 21' ' ' LEU . 87.0 m -98.33 120.16 38.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.19 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.516 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -113.82 120.36 40.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -89.11 111.0 21.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.516 ' CE2' ' HB2' ' A' ' 21' ' ' LEU . 77.6 m-85 -113.49 117.59 32.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.51 100.48 8.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.2 t -97.21 136.4 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -86.19 101.36 12.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 24.3 mtm -106.43 151.15 25.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.7 p -122.15 -21.63 5.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.124 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.3 p -152.39 -177.33 6.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 33' ' ' VAL . 1.2 mp0 -61.2 -55.4 32.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' GLN . 17.9 t -34.27 -64.31 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 30.1 m -44.25 -39.49 4.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 30' ' ' GLN . 77.9 t -73.01 -42.42 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.73 -43.66 85.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.14 -37.79 81.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 80.8 t -61.33 -45.22 99.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' GLN . 41.9 mtp180 -67.37 -57.89 5.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.419 ' C ' ' HD3' ' A' ' 38' ' ' LYS . 4.2 tmtt? -51.59 -36.37 45.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.5 m -57.11 -31.3 65.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.6 mt -129.77 19.99 5.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 37' ' ' ARG . 20.0 tt0 -79.11 113.54 17.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 50.65 32.9 25.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.3 t -90.56 144.12 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.785 0.326 . . . . 0.0 111.168 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -38.66 135.37 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.86 -45.75 3.53 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.436 ' CG1' HG22 ' A' ' 49' ' ' VAL . 96.5 t -73.6 116.66 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.765 0.317 . . . . 0.0 111.159 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.455 ' HG2' ' CD1' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -93.65 -29.69 15.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -159.32 157.24 30.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.436 HG22 ' CG1' ' A' ' 46' ' ' VAL . 84.9 t -155.04 133.34 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -120.89 132.48 54.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.473 HG13 ' CG ' ' A' ' 37' ' ' ARG . 8.1 p -121.45 102.17 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -97.5 108.36 21.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.2 tp -71.19 -37.75 72.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.79 -60.09 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 56' ' ' GLN . 10.0 m-20 -95.35 25.84 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 55' ' ' ASP . 8.5 mm-40 35.77 38.1 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 45.6 mmm -103.96 154.79 19.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.3 t -149.92 106.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.421 ' C ' HG23 ' A' ' 60' ' ' VAL . 5.2 mp -87.02 159.79 18.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.421 HG23 ' C ' ' A' ' 59' ' ' LEU . 91.7 t -150.5 104.96 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -88.57 90.03 8.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.5 t -135.46 158.0 45.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.117 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.9 p -77.89 -14.35 59.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.7 mt -74.42 152.45 87.75 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.565 0.698 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 67' ' ' GLN . 54.1 Cg_endo -69.74 135.6 30.92 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' PRO . 10.1 t -35.94 -30.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 65' ' ' PRO . 5.8 tp60 -62.61 -52.48 63.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 65' ' ' PRO . 1.7 tp10 -58.49 -48.23 81.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.6 t -61.91 -50.37 80.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.097 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -45.78 -32.88 2.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.54 -41.02 61.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 78.7 mt -60.11 -36.31 77.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.5 mt -70.21 -48.76 55.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.87 -19.12 49.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.75 -21.62 76.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.6 p -76.03 -18.65 59.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 111.158 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.01 -42.82 1.5 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.579 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.2 ptp85 -80.76 172.46 13.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -94.48 159.36 15.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -135.04 110.31 8.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.052 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.1 t -98.67 134.91 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.5 tp -84.7 119.4 25.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.799 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.5 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.839 0.352 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.47 HD13 ' CG ' ' A' ' 47' ' ' GLN . 1.6 tt -84.69 126.81 33.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 74.6 m -134.19 157.54 45.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.2 m -92.1 130.14 37.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.8 mt -116.4 124.04 49.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.961 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -99.42 119.56 38.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 78.6 m-85 -122.46 131.68 53.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.429 ' HB1' ' CG ' ' A' ' 83' ' ' LYS . . . -94.29 98.03 10.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.9 t -99.77 145.39 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -88.67 117.07 27.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 21.3 mtm -129.21 156.9 43.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.8 p -127.89 -48.82 1.36 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 3.4 t -122.08 157.79 30.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 31' ' ' SER . 36.7 tp60 -41.32 -40.48 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 30' ' ' GLN . 6.3 m -34.75 -49.63 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.0 m -61.05 -52.59 64.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 82.9 t -52.7 -32.94 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -71.3 -51.04 26.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.02 -55.2 35.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.2 t -45.14 -49.79 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HD2' ' CG1' ' A' ' 51' ' ' VAL . 52.2 mtp85 -69.44 -55.3 10.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -53.01 -25.06 10.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.8 t -72.76 -35.84 67.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mt -120.47 28.99 7.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.65 106.31 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 38.84 44.36 1.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 44' ' ' ALA . 48.0 t -85.46 139.23 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -33.93 117.38 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.86 -47.99 0.99 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 42.8 t -80.69 117.05 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.337 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.47 ' CG ' HD13 ' A' ' 18' ' ' LEU . 5.4 pt20 -85.14 -29.08 25.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 5.4 m-20 -159.18 164.09 35.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.3 p -155.73 128.71 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -116.95 132.04 56.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.42 ' CG1' ' HD2' ' A' ' 37' ' ' ARG . 3.3 p -123.79 112.75 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.094 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -105.64 108.69 20.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.0 tp -76.41 -25.83 54.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -67.67 -45.45 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 56' ' ' GLN . 2.0 m-20 -105.52 26.46 9.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 55' ' ' ASP . 26.0 mm-40 34.8 35.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 55' ' ' ASP . 46.7 mmm -106.36 159.32 16.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 83.9 t -154.23 107.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.36 162.1 17.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.1 t -151.21 107.43 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -90.78 97.41 11.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.4 t -143.18 162.94 34.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.0 p -88.44 1.23 55.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mt -85.06 152.25 58.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.626 0.727 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.8 Cg_endo -69.75 139.16 39.6 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.646 2.231 . . . . 0.0 112.397 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 65' ' ' PRO . 17.0 t -34.52 -63.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' SER . 9.6 pt20 -37.5 -44.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 65' ' ' PRO . 10.5 tp10 -64.44 -59.8 3.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.4 t -50.26 -40.14 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -51.72 -35.46 43.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.56 -41.44 54.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.1 mt -62.0 -20.9 64.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 35.7 mt -91.69 -42.91 9.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -62.93 -18.78 63.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.78 -26.55 71.2 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 28.8 p -69.95 -8.47 49.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 111.128 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.77 8.57 60.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -115.11 163.55 15.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -97.5 120.37 37.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -105.31 120.46 41.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.4 t -105.58 104.85 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.425 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 20.7 tp -57.97 118.72 5.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.429 ' CG ' ' HB1' ' A' ' 24' ' ' ALA . 7.0 mmpt? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.79 0.329 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.49 114.86 15.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 97.7 m -134.34 149.79 50.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.1 m -88.9 120.26 30.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.455 ' CD1' HG23 ' A' ' 69' ' ' VAL . 3.0 mt -107.27 127.18 53.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.435 ' CG ' HD13 ' A' ' 59' ' ' LEU . 11.1 mt-10 -93.43 132.2 37.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 58' ' ' VAL . 51.0 m-85 -136.26 120.82 18.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.13 95.02 10.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.459 ' CG2' HG21 ' A' ' 58' ' ' VAL . 15.2 t -99.98 143.94 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.165 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -87.06 127.19 35.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.8 mtm -134.55 154.15 51.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.8 p -122.85 -62.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.5 ' HG ' ' N ' ' A' ' 30' ' ' GLN . 1.7 t -108.42 148.59 29.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.5 ' N ' ' HG ' ' A' ' 29' ' ' CYS . 11.9 tp60 -33.65 -42.34 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' GLN . 30.8 p -34.11 -67.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.491 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 58.4 m -38.73 -44.85 1.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.7 t -64.98 -41.07 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' SER . 3.2 t0 -57.54 -50.52 72.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.73 -55.04 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 32' ' ' CYS . 85.7 t -39.7 -38.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' GLN . 59.3 mtp180 -74.89 -53.51 8.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -53.42 -35.53 60.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 92.7 p -59.74 -31.52 69.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mt -127.14 20.11 6.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 37' ' ' ARG . 11.4 tt0 -73.95 108.63 6.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 49.28 41.02 30.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 92.9 t -92.09 141.32 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -37.47 145.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.61 -52.21 3.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.404 HG11 ' CG2' ' A' ' 49' ' ' VAL . 94.1 t -66.52 130.13 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.342 . . . . 0.0 111.106 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.457 ' NE2' ' HB2' ' A' ' 48' ' ' ASP . 0.8 OUTLIER -100.64 -32.47 10.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.457 ' HB2' ' NE2' ' A' ' 47' ' ' GLN . 2.6 t70 -158.04 154.93 28.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.404 ' CG2' HG11 ' A' ' 46' ' ' VAL . 97.2 t -146.46 129.15 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -126.85 112.46 15.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.34 127.33 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.519 ' N ' ' CD2' ' A' ' 52' ' ' HIS . 1.5 m-70 -116.18 115.65 26.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.4 tp -84.66 -23.6 29.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -68.61 -53.08 24.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' GLN . 7.5 m-20 -97.78 25.22 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' ASP . 3.9 mm-40 34.38 43.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.402 ' C ' HG23 ' A' ' 58' ' ' VAL . 40.9 mmm -111.04 167.21 10.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 23' ' ' PHE . 95.3 t -155.54 109.99 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -103.32 140.6 37.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 99.1 t -136.19 106.46 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -81.34 98.1 8.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.41 HG22 ' CG2' ' A' ' 69' ' ' VAL . 6.8 t -145.19 161.76 38.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.0 p -87.21 -7.18 58.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.421 HD12 ' CD ' ' A' ' 68' ' ' GLU . 6.0 mt -78.17 152.57 79.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 110.912 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.8 Cg_endo -69.8 139.38 39.92 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.332 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' PRO . 71.2 m -34.38 -57.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -38.53 -46.44 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.421 ' CD ' HD12 ' A' ' 64' ' ' LEU . 16.2 tm-20 -61.18 -62.87 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.455 HG23 ' CD1' ' A' ' 21' ' ' LEU . 74.2 t -48.09 -44.56 12.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -46.85 -43.4 18.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.63 94.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.42 -36.67 78.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.5 mt -76.57 -44.48 34.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -61.45 -12.93 16.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.4 -28.09 62.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 72.7 p -77.24 -1.19 28.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 111.148 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.29 27.53 30.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.449 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.3 mtt-85 -125.86 163.61 22.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -102.03 121.48 42.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -100.79 124.03 45.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.4 t -115.92 107.88 23.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.4 tp -60.88 131.85 52.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.793 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.8 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.798 0.332 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 tt -72.92 113.36 9.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 m -130.46 154.1 48.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.418 HG21 ' CD2' ' A' ' 61' ' ' HIS . 58.7 m -93.06 105.8 17.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.471 ' CD1' HG22 ' A' ' 69' ' ' VAL . 5.5 mt -84.98 125.28 32.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.964 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -95.48 128.81 42.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -131.72 147.77 52.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.93 96.47 6.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.3 t -102.54 135.97 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.57 113.91 26.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.8 mtm -115.0 169.34 9.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.4 p -128.98 -45.2 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.1 p -138.34 -175.87 4.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 31' ' ' SER . 14.1 tp60 -56.34 -49.47 74.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 30' ' ' GLN . 50.8 m -34.23 -68.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 70.9 m -38.65 -53.02 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.19 -48.49 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -47.77 -51.48 22.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.46 -58.85 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.7 t -42.49 -38.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 41' ' ' GLN . 88.8 mtt180 -72.46 -53.19 12.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -57.3 -30.06 64.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.433 ' HB2' ' CG2' ' A' ' 76' ' ' THR . 28.9 t -65.02 -22.0 66.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.799 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mt -132.89 10.55 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 37' ' ' ARG . 2.5 tm0? -75.42 109.86 9.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 58.36 46.2 93.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.3 t -104.06 136.64 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 111.086 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -37.67 141.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.88 -49.17 3.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.6 t -65.41 137.6 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.4 OUTLIER -113.19 -30.42 6.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.402 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 7.3 t0 -162.96 152.37 15.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.6 t -141.8 114.54 4.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -99.95 119.96 39.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.9 t -109.41 109.82 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -101.16 103.84 14.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.1 tp -76.46 -29.39 56.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.39 -52.05 67.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -102.07 25.52 8.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 39.7 38.85 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 37.3 mmm -109.87 160.75 16.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.1 t -155.42 107.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.619 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -94.63 149.99 20.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.8 t -133.46 109.03 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.433 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 4.9 m170 -85.04 94.5 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.0 t -143.7 163.54 32.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.7 p -85.1 -10.58 56.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.203 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.9 mt -78.38 152.2 78.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.666 0.746 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 151.99 69.06 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.6 t -48.04 -57.59 5.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -41.16 -39.89 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -67.77 -63.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.471 HG22 ' CD1' ' A' ' 21' ' ' LEU . 61.7 t -48.77 -47.35 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 69' ' ' VAL . 19.7 tt0 -36.49 -49.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -43.48 95.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 69' ' ' VAL . 78.9 mt -56.58 -41.46 76.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.7 mt -72.72 -49.03 33.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -56.02 -25.63 45.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.7 -34.09 75.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.534 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.433 ' CG2' ' HB2' ' A' ' 39' ' ' SER . 78.9 p -66.7 -23.03 66.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.854 0.359 . . . . 0.0 111.12 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.61 32.07 4.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.8 mtp85 -128.54 163.83 24.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.76 0.314 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -96.77 109.79 22.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.1 113.86 25.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 65.8 t -104.52 104.6 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.1 tp -54.16 125.02 17.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.813 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.824 0.345 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.414 HD22 ' CD ' ' A' ' 47' ' ' GLN . 53.8 tp -93.19 123.09 36.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 51.7 m -134.41 151.82 51.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.4 m -90.12 124.42 34.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.8 mt -112.04 121.69 45.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.462 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 8.7 mt-10 -101.53 111.84 24.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -116.1 124.17 49.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.61 99.41 10.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.8 t -100.19 144.24 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -90.53 112.54 24.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 21.1 mtm -120.87 162.17 20.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.2 p -124.6 -57.33 1.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 30' ' ' GLN . 17.5 t -125.49 162.04 25.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.466 ' C ' ' O ' ' A' ' 29' ' ' CYS . 17.2 tp60 -32.94 -49.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 30' ' ' GLN . 13.2 t -33.03 -69.94 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 89.2 m -40.76 -40.81 1.41 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' GLN . 90.7 t -71.84 -40.05 68.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -57.71 -34.84 69.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.05 -44.8 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.1 t -53.2 -46.53 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 41' ' ' GLN . 70.3 mtp180 -68.23 -57.02 6.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -53.2 -30.56 38.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.6 m -61.84 -37.67 85.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.46 ' CD2' HD11 ' A' ' 72' ' ' LEU . 4.5 mt -123.93 20.04 9.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 37' ' ' ARG . 1.8 tt0 -71.8 112.86 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 43.94 40.74 5.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.402 HG23 ' C ' ' A' ' 40' ' ' LEU . 58.6 t -91.99 145.21 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 111.116 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.93 124.0 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.7 -47.94 1.28 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.5 t -74.75 135.28 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 3.8 pt20 -106.02 -28.74 10.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.466 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 5.6 t70 -161.4 166.5 27.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.2 t -156.93 118.76 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -107.17 123.15 47.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.468 HG23 ' CG ' ' A' ' 37' ' ' ARG . 53.3 t -105.57 133.41 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -125.7 106.25 9.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.6 tp -80.07 -28.7 39.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -60.55 -43.93 96.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -111.26 21.06 16.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 40.84 41.25 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.462 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 61.2 mmm -106.67 151.86 24.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.0 t -139.44 108.12 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.0 mp -91.31 158.8 16.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.1 t -152.74 104.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -87.44 99.19 11.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.427 HG21 ' CG2' ' A' ' 69' ' ' VAL . 9.6 t -143.7 161.94 37.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.2 p -87.28 4.94 40.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.157 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.4 mt -90.48 152.5 45.4 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.611 0.72 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.1 Cg_endo -69.71 140.03 41.85 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.357 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' PRO . 68.0 p -33.82 -64.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 66' ' ' SER . 14.6 pt20 -34.63 -46.71 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.34 -61.21 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.427 ' CG2' HG21 ' A' ' 62' ' ' THR . 61.1 t -51.58 -47.0 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -47.64 -40.43 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.8 95.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.46 HD11 ' CD2' ' A' ' 40' ' ' LEU . 90.7 mt -63.36 -30.87 71.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.4 mt -77.03 -36.26 56.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -69.56 -21.77 63.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.53 -29.85 75.86 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 58.6 p -66.73 -21.52 66.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 111.091 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.83 -10.48 34.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.06 172.07 8.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.742 0.306 . . . . 0.0 110.846 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -104.54 110.25 22.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.8 116.07 28.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.3 t -103.47 122.21 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.9 tp -72.46 121.51 19.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.816 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.857 0.36 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.1 tp -76.46 116.7 17.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.1 m -134.29 159.2 41.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.4 m -88.75 133.91 34.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.456 ' CD1' HG21 ' A' ' 69' ' ' VAL . 4.2 mt -126.58 109.87 12.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.467 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 10.8 mt-10 -84.58 129.52 34.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.519 ' CZ ' HD12 ' A' ' 82' ' ' LEU . 57.0 m-85 -133.18 119.14 19.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.68 97.04 5.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.401 ' CG1' ' HD2' ' A' ' 78' ' ' ARG . 73.5 t -98.8 137.74 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -70.54 129.19 38.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.7 mtm -143.89 140.49 29.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 70.0 p -122.74 -24.66 4.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 1.9 t -146.2 159.21 43.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.467 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 34.6 tp60 -41.78 -42.17 2.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 34' ' ' ASP . 5.0 t -34.43 -70.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.492 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 70.7 m -37.79 -44.21 0.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.455 HG11 ' CG1' ' A' ' 51' ' ' VAL . 41.8 t -62.18 -41.96 93.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.9 OUTLIER -57.35 -44.37 84.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.52 -43.23 56.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 32' ' ' CYS . 94.4 t -49.36 -44.63 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 41' ' ' GLN . 34.7 mtp85 -66.61 -55.88 13.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' C ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -51.02 -44.71 61.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 p -48.69 -29.49 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mt -132.69 20.66 4.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 37' ' ' ARG . 7.0 tt0 -74.75 119.2 18.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 39.35 37.56 0.78 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 44' ' ' ALA . 38.8 t -86.58 143.63 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 111.165 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.418 ' N ' HG12 ' A' ' 43' ' ' VAL . . . -42.33 108.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 111.0 -48.96 0.88 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.5 t -65.4 125.77 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 0.0 111.175 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -102.57 -32.17 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.441 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 8.6 t0 -156.69 157.41 35.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.9 p -153.37 120.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -110.61 131.37 55.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.455 ' CG1' HG11 ' A' ' 33' ' ' VAL . 39.2 t -116.95 125.78 74.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -121.97 100.57 7.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.0 tp -71.07 -25.98 62.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -60.62 -41.74 95.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 56' ' ' GLN . 1.4 m-20 -112.61 24.07 12.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 55' ' ' ASP . 16.8 mm-40 37.12 44.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.467 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 60.4 mmm -112.86 159.38 19.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.5 t -146.51 105.87 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.0 mp -86.96 159.0 19.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 80.1 t -152.62 107.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -89.77 93.58 9.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.0 t -142.2 163.48 32.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.2 p -84.86 -7.46 59.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.0 mt -77.88 152.31 79.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.624 0.726 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.5 Cg_endo -69.75 139.7 40.88 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.686 2.258 . . . . 0.0 112.312 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 65' ' ' PRO . 35.3 p -34.19 -61.12 0.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 66' ' ' SER . 8.4 tt0 -35.04 -52.14 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -56.79 -61.77 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.456 HG21 ' CD1' ' A' ' 21' ' ' LEU . 98.5 t -49.5 -38.2 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.477 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 43.7 tt0 -64.02 -31.52 72.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.81 -32.93 63.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.1 mt -72.51 -37.07 68.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.9 mt -66.13 -49.23 68.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -61.39 -23.82 66.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.01 -16.91 62.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.413 ' HB ' ' NH1' ' A' ' 78' ' ' ARG . 73.0 p -76.79 -24.1 52.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.847 0.356 . . . . 0.0 111.193 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.92 -36.77 3.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.413 ' NH1' ' HB ' ' A' ' 76' ' ' THR . 6.6 ptt-85 -80.9 172.04 14.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.854 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -86.37 148.83 25.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.16 117.86 9.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.8 t -119.45 145.65 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.519 HD12 ' CZ ' ' A' ' 23' ' ' PHE . 10.8 tp -82.75 137.51 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.842 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.813 0.339 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 tt -82.36 118.78 23.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.9 m -134.22 160.26 38.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.8 m -93.62 129.61 39.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mt -119.31 111.29 18.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.434 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 28.3 mt-10 -88.27 127.4 35.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.552 ' CE1' HD13 ' A' ' 82' ' ' LEU . 70.9 m-85 -132.35 128.84 38.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.25 94.57 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.472 ' CG1' ' HD2' ' A' ' 78' ' ' ARG . 54.3 t -98.45 148.81 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -79.15 134.68 36.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 29.9 mtm -148.07 122.29 9.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.2 -34.82 10.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' GLN . 83.6 m -153.23 177.29 11.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.468 ' O ' ' C ' ' A' ' 31' ' ' SER . 38.5 tp60 -37.93 -56.8 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 30' ' ' GLN . 11.9 t -32.71 -70.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.9 m -37.9 -46.39 0.95 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.454 HG11 ' CG1' ' A' ' 51' ' ' VAL . 99.7 t -65.27 -42.25 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 31' ' ' SER . 87.8 m-20 -53.0 -50.7 63.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.3 -48.71 80.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.423 ' HA ' ' NH2' ' A' ' 78' ' ' ARG . 96.5 t -51.99 -50.54 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 41' ' ' GLN . 46.3 mtp180 -63.21 -58.63 6.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -51.27 -37.13 45.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 p -58.71 -34.46 71.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.439 ' CD1' HG22 ' A' ' 60' ' ' VAL . 6.5 mt -125.9 24.6 7.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 37' ' ' ARG . 5.1 tt0 -80.83 116.85 21.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.53 42.12 7.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 44' ' ' ALA . 78.0 t -96.12 133.95 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.52 124.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.76 -55.23 1.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.8 126.09 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.741 0.305 . . . . 0.0 111.194 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.469 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -100.53 -34.95 9.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.469 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 2.8 t70 -153.23 162.11 41.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 p -156.99 111.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -99.33 134.13 42.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.454 ' CG1' HG11 ' A' ' 33' ' ' VAL . 62.0 t -116.91 111.82 36.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -103.89 108.35 19.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.3 tp -76.81 -33.49 57.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -52.22 -44.55 64.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.54 23.91 12.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 38.82 42.85 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.434 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 62.3 mmm -102.3 162.54 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.943 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' PHE . 62.8 t -148.3 105.15 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.444 ' C ' HG23 ' A' ' 60' ' ' VAL . 3.7 mp -88.24 151.32 22.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.444 HG23 ' C ' ' A' ' 59' ' ' LEU . 71.6 t -141.47 105.28 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -86.24 90.8 8.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.4 t -138.88 163.53 32.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.6 p -91.26 9.61 30.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.7 mt -98.72 152.53 37.9 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.606 0.717 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.0 Cg_endo -69.68 145.23 56.95 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.715 2.276 . . . . 0.0 112.347 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' GLN . 67.0 m -36.33 -65.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' SER . 13.9 pt20 -34.53 -43.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -62.0 -53.59 53.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 70' ' ' GLN . 93.0 t -66.36 -56.53 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 69' ' ' VAL . 58.3 tt0 -36.93 -52.68 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.9 -47.15 81.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.068 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 47.7 mt -54.77 -37.59 66.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.0 mt -67.1 -51.08 58.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -56.62 -23.02 38.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.51 -25.61 55.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.51 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 71.5 p -72.43 -17.65 61.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 111.093 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.7 -31.87 5.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.472 ' HD2' ' CG1' ' A' ' 25' ' ' VAL . 4.9 ptt85 -80.79 172.8 13.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.745 0.307 . . . . 0.0 110.866 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -107.69 132.18 53.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -104.25 132.18 50.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.5 t -113.04 105.88 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.552 HD13 ' CE1' ' A' ' 23' ' ' PHE . 29.3 tp -58.99 139.75 56.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.853 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.419 HD11 ' C ' ' A' ' 62' ' ' THR . 18.1 tp -76.16 122.13 23.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 81.7 m -131.98 160.56 35.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.1 m -96.36 126.21 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mt -116.18 132.66 56.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -102.67 127.73 49.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 58' ' ' VAL . 63.6 m-85 -134.12 128.62 34.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.24 97.32 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.5 t -100.06 136.36 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -70.08 132.2 45.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 30.9 mtm -151.04 120.74 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 t -105.34 -32.79 8.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.5 p -131.39 -175.82 3.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 33' ' ' VAL . 44.3 tp60 -62.93 -53.56 52.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 30' ' ' GLN . 14.2 t -34.56 -59.22 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 65.6 m -46.24 -41.62 13.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 30' ' ' GLN . 60.4 t -73.53 -37.21 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -60.07 -28.19 67.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' SER . . . -77.67 -48.84 15.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 72.9 t -50.3 -47.89 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.413 ' NH1' ' HB3' ' A' ' 37' ' ' ARG . 14.6 mtp-105 -71.03 -50.31 35.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 38' ' ' LYS . 1.3 tmtp? -63.44 -19.69 64.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 35' ' ' ALA . 19.3 t -73.12 -36.84 66.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 mt -123.67 25.03 8.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.455 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.5 tt0 -53.84 106.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 41' ' ' GLN . . . 33.66 36.02 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' GLN . 75.3 t -75.37 145.81 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.123 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.91 139.42 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.54 -49.05 4.16 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.6 t -71.07 135.99 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.336 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -111.33 -30.08 7.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.421 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 4.8 t70 -155.68 156.54 35.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.3 t -153.24 114.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -103.8 149.28 25.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.5 t -136.37 124.28 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -116.97 106.03 12.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.5 tp -74.75 -21.98 59.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -66.69 -48.33 69.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.87 16.16 24.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 46.59 39.14 6.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 69.6 mmm -101.54 163.27 12.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 23' ' ' PHE . 42.5 t -155.53 107.7 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.3 mp -91.41 162.03 14.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.7 t -152.71 107.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.401 ' C ' HD12 ' A' ' 18' ' ' LEU . 9.9 m-70 -87.49 92.58 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.419 ' C ' HD11 ' A' ' 18' ' ' LEU . 10.1 t -139.45 163.45 32.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.6 p -85.51 -6.86 59.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.7 mt -79.99 152.38 74.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.587 0.708 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.2 Cg_endo -69.72 137.16 34.91 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' PRO . 78.6 p -34.48 -62.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' SER . 55.1 mm-40 -37.07 -47.96 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -59.11 -59.84 4.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.6 t -51.36 -48.29 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -44.09 -48.45 8.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.97 -41.03 86.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.3 mt -64.25 -31.52 72.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.8 mt -79.03 -23.86 44.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.961 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -79.3 -28.74 42.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.82 -17.89 63.45 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.481 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.2 p -75.41 -14.09 60.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.82 0.343 . . . . 0.0 111.103 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.28 -35.75 4.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.454 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.712 ' HE ' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -84.89 168.38 15.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.765 0.317 . . . . 0.0 110.894 -179.854 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -104.5 121.17 42.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -98.15 119.07 36.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.5 t -103.88 117.16 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.9 tp -58.12 118.63 5.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.826 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.814 0.34 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.461 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 1.3 tt -92.47 117.93 30.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -125.88 162.88 24.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.3 m -100.21 99.95 10.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 mt -77.86 119.69 21.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -93.48 115.07 27.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.541 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 76.8 m-85 -118.49 165.4 13.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . -121.53 101.85 7.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.1 t -107.74 142.84 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.492 ' O ' ' CZ ' ' A' ' 78' ' ' ARG . 10.5 tt0 -88.05 110.89 20.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.411 ' HE1' ' CG2' ' A' ' 58' ' ' VAL . 24.6 mtm -112.62 161.34 16.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.5 p -113.84 -62.09 1.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.4 m -133.14 -174.98 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 31' ' ' SER . 35.3 tp60 -43.68 -56.38 3.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 30' ' ' GLN . 4.1 t -34.21 -70.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' SER . 2.7 m -36.33 -38.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.468 HG13 ' NE ' ' A' ' 37' ' ' ARG . 22.0 t -68.32 -48.23 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' SER . 3.1 m-20 -54.63 -38.31 66.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.71 -57.79 6.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.443 ' CG1' HG11 ' A' ' 58' ' ' VAL . 76.7 t -49.11 -40.67 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.155 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 41' ' ' GLN . 87.0 mtm180 -69.64 -58.27 4.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -51.24 -37.36 46.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 p -58.97 -31.54 68.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mt -128.27 23.82 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 37' ' ' ARG . 5.5 tt0 -81.96 113.42 19.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 52.02 37.55 45.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.412 ' O ' ' C ' ' A' ' 44' ' ' ALA . 93.6 t -90.42 143.95 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.373 . . . . 0.0 111.094 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -36.35 137.47 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.056 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.28 -43.21 2.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 47' ' ' GLN . 93.8 t -68.54 137.8 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 111.149 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.461 ' OE1' ' CD1' ' A' ' 18' ' ' LEU . 6.2 pt20 -114.93 -29.32 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -159.15 156.94 29.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -147.57 113.73 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -104.99 112.24 25.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.408 ' CG1' HG11 ' A' ' 33' ' ' VAL . 11.8 p -107.32 113.76 44.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -105.4 117.17 33.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.0 tp -84.59 -26.88 27.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -62.34 -44.9 95.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 56' ' ' GLN . 4.5 m-20 -107.16 24.38 12.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 55' ' ' ASP . 6.9 mm-40 36.21 38.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 23' ' ' PHE . 54.7 mmm -110.27 152.15 26.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.443 HG11 ' CG1' ' A' ' 36' ' ' VAL . 55.6 t -142.18 114.35 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.612 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -103.73 147.01 27.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.957 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.0 t -133.71 110.18 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -86.98 98.82 11.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.402 HG22 ' CG2' ' A' ' 69' ' ' VAL . 8.8 t -145.1 163.11 35.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.7 p -88.35 -0.3 57.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.9 mt -86.29 152.31 55.14 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.554 0.693 . . . . 0.0 110.942 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.1 Cg_endo -69.69 143.57 51.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.355 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' PRO . 40.2 p -34.54 -66.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 66' ' ' SER . 14.1 pt20 -34.71 -41.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 65' ' ' PRO . 10.5 tt0 -64.17 -55.28 22.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 70' ' ' GLN . 82.4 t -65.28 -55.09 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 69' ' ' VAL . 39.5 tt0 -36.39 -52.56 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.95 -49.19 78.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.2 mt -54.49 -29.59 50.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.4 mt -75.11 -45.32 41.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -61.21 -26.12 67.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.06 -24.39 42.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 62.1 p -69.2 -15.36 63.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 0.0 111.079 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.5 -19.52 28.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 26' ' ' GLN . 16.4 mtt-85 -96.82 172.57 7.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -103.49 140.8 37.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -118.2 122.36 42.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 24' ' ' ALA . 50.6 t -103.78 111.91 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.175 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.541 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 20.3 tp -67.95 117.88 10.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.856 0.36 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.499 ' CD2' ' OE1' ' A' ' 47' ' ' GLN . 1.5 tt -108.82 124.99 51.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.9 m -134.62 154.88 51.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.0 m -106.32 114.58 28.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.097 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 mt -95.8 147.32 23.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.465 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 9.9 mt-10 -121.27 103.86 9.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -108.86 126.75 53.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.57 102.5 14.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.7 t -98.96 145.28 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -87.66 102.92 15.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.456 ' HE3' ' CG2' ' A' ' 58' ' ' VAL . 20.4 mtm -108.2 155.83 20.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.6 p -119.59 -44.92 2.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.167 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.3 p -139.89 179.64 6.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 31' ' ' SER . 8.8 tp-100 -48.88 -52.03 26.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' ASP . 27.9 t -34.43 -67.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.802 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.422 ' HA ' ' NH2' ' A' ' 78' ' ' ARG . 1.8 m -37.52 -45.8 0.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.7 t -63.07 -40.67 89.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 31' ' ' SER . 8.8 t0 -54.54 -52.71 61.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.19 -62.5 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.8 t -39.32 -49.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' GLN . 64.5 mtp180 -59.95 -54.79 41.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -53.17 -50.34 64.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.9 t -48.17 -26.09 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.845 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 mt -132.32 24.4 4.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 37' ' ' ARG . 52.4 tp60 -81.17 106.92 13.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.98 40.64 7.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.459 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.432 HG13 ' N ' ' A' ' 44' ' ' ALA . 98.1 t -89.0 150.16 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.432 ' N ' HG13 ' A' ' 43' ' ' VAL . . . -41.6 133.82 2.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.484 ' O ' ' NE2' ' A' ' 47' ' ' GLN . . . 88.74 -49.01 3.58 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 47' ' ' GLN . 89.8 t -70.68 140.14 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 111.105 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.637 HE21 ' N ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -114.23 -29.05 7.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -158.54 156.31 29.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 70.0 t -150.15 125.11 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -113.52 131.03 56.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.5 t -116.33 127.16 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -124.36 103.07 8.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.4 tp -75.87 -30.83 59.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -53.94 -42.44 68.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.7 24.32 11.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 40.59 40.76 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 70.6 mmm -107.77 151.11 26.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.456 ' CG2' ' HE3' ' A' ' 27' ' ' MET . 55.1 t -143.4 106.53 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.18 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.3 mp -89.78 160.81 16.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.954 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.1 t -152.77 105.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -82.45 101.28 10.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.474 ' HA ' ' NE2' ' A' ' 47' ' ' GLN . 5.9 t -144.13 153.99 42.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.8 p -83.58 8.79 13.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.3 mt -98.68 152.97 38.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.599 0.714 . . . . 0.0 110.966 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.1 Cg_endo -69.75 143.09 49.78 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 65' ' ' PRO . 0.4 OUTLIER -33.77 -62.54 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.484 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 9.8 pt20 -34.7 -48.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.484 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 6.0 tp10 -59.04 -62.82 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 96.7 t -49.16 -47.99 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -44.26 -44.24 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.55 99.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.5 -39.31 93.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.0 mt -71.53 -51.87 21.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -53.3 -22.04 6.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.41 -16.53 58.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.2 p -84.88 10.51 11.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.4 -29.57 3.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.422 ' NH2' ' HA ' ' A' ' 32' ' ' CYS . 28.3 mtt180 -83.7 164.17 19.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 0.0 110.871 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -99.31 145.28 27.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.63 120.38 33.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.138 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.2 t -97.95 112.05 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.176 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.8 tp -63.71 126.75 28.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.851 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.2 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.815 0.341 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.4 tp -80.46 112.99 18.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 66.6 m -132.81 149.8 52.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.9 m -86.68 101.26 13.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.438 ' CD1' ' CG2' ' A' ' 69' ' ' VAL . 4.2 mt -82.18 120.94 25.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -93.4 128.74 39.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.48 ' CZ ' HD13 ' A' ' 82' ' ' LEU . 59.8 m-85 -131.96 151.69 51.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.35 95.9 6.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.7 t -104.87 135.65 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -77.69 136.45 38.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.9 mtm -147.79 140.46 24.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.3 t -130.1 -40.71 1.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.5 p -121.15 162.44 20.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 31' ' ' SER . 44.0 tp60 -49.02 -55.8 10.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 30' ' ' GLN . 68.4 m -34.28 -57.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.6 m -46.57 -46.96 19.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.426 ' CG1' HG13 ' A' ' 51' ' ' VAL . 76.4 t -68.91 -46.16 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -50.64 -54.06 25.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.59 -63.77 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 72.6 t -40.55 -55.01 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' GLN . 50.0 mtp180 -54.79 -53.07 60.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -53.44 -51.52 62.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.9 p -50.97 -23.18 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 mt -131.67 25.12 4.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 37' ' ' ARG . 35.8 tp60 -81.93 108.81 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 43.08 40.52 4.35 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.0 t -88.99 147.6 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.39 143.43 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.07 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.86 -44.51 2.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.6 t -76.66 131.27 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -102.12 -32.81 9.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.436 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 21.5 m-20 -157.05 163.81 38.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.8 t -155.38 135.15 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -120.09 146.18 46.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.464 HG22 ' CG ' ' A' ' 37' ' ' ARG . 67.2 t -132.44 131.66 60.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -124.96 113.68 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.6 tp -76.41 -55.54 5.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -58.34 -37.07 74.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -91.92 -13.13 31.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 55.53 42.86 29.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.5 mmm -118.83 163.92 16.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.2 t -154.99 106.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.62 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -94.18 148.02 22.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.946 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -134.7 104.43 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -80.51 88.94 5.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 t -137.91 157.57 46.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.2 p -81.91 2.45 30.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.3 mt -86.72 152.17 53.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.671 0.748 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.6 Cg_endo -69.72 140.73 43.52 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 65' ' ' PRO . 13.9 t -34.0 -63.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' SER . 17.8 pt20 -35.14 -53.22 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -55.96 -61.25 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.438 ' CG2' ' CD1' ' A' ' 21' ' ' LEU . 71.6 t -49.16 -40.41 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -60.38 -31.16 70.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.18 -37.38 66.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.02 -40.53 87.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 35.7 mt -64.87 -53.64 43.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 77' ' ' GLY . 26.2 mt-10 -50.62 -35.24 29.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -44.89 -24.85 0.82 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.483 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 66.7 p -93.24 26.13 3.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 111.145 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . 56.03 15.93 11.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.401 ' HA ' ' NE ' ' A' ' 78' ' ' ARG . 5.8 mmp_? -91.64 169.56 10.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -110.27 97.77 7.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.96 113.95 25.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.072 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.4 t -112.74 104.57 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.48 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 13.5 tp -53.94 125.07 17.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.875 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.7 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.828 0.346 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' N ' HG23 ' A' ' 63' ' ' THR . 66.2 tp -68.12 123.36 20.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -133.73 162.82 30.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.2 m -99.55 128.8 45.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.6 mt -117.48 122.35 43.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.468 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 26.2 mt-10 -104.0 119.35 38.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.567 ' CE1' HD12 ' A' ' 82' ' ' LEU . 66.4 m-85 -123.34 132.99 54.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.61 95.76 9.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.4 t -103.84 148.32 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -80.32 135.9 36.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 33.7 mtm -152.33 125.1 8.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 t -108.67 -43.85 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.6 t -125.11 151.75 45.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 31' ' ' SER . 7.4 tp60 -37.75 -41.26 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 30' ' ' GLN . 5.0 m -34.42 -51.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 85.2 m -56.43 -54.5 44.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.7 t -51.67 -39.21 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.95 -45.54 91.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.82 -41.66 78.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 88.6 t -62.47 -47.67 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 41' ' ' GLN . 45.2 mtp180 -65.85 -47.58 74.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -61.78 -41.88 98.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.6 p -56.03 -26.68 50.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mt -130.74 22.87 5.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 37' ' ' ARG . 32.2 tp60 -77.04 115.6 16.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' GLN . . . 38.44 45.89 1.94 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 44' ' ' ALA . 78.5 t -96.89 147.17 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -33.96 130.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.71 -55.67 5.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.541 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.8 t -62.46 127.3 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 111.071 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -100.07 -33.21 10.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 1.5 t70 -160.39 158.84 30.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.3 t -150.96 112.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -99.51 140.5 33.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.0 t -122.29 131.96 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -123.6 98.31 5.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.2 tp -68.02 -26.9 66.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -59.16 -43.06 92.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -114.75 22.09 13.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 38.98 44.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 78.5 mmm -106.0 158.32 16.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 23' ' ' PHE . 55.0 t -139.94 109.78 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.421 ' C ' HG22 ' A' ' 60' ' ' VAL . 1.9 mp -92.69 147.51 22.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.421 HG22 ' C ' ' A' ' 59' ' ' LEU . 50.0 t -140.41 105.15 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -86.38 88.74 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.7 t -138.57 159.99 40.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 18' ' ' LEU . 57.2 p -88.0 2.72 51.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.0 mt -87.76 152.19 51.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.645 0.736 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.0 Cg_endo -69.71 137.54 35.86 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' PRO . 57.0 p -35.6 -65.58 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 66' ' ' SER . 13.2 pt20 -34.47 -41.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 9.1 tt0 -66.73 -54.11 26.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.457 ' O ' ' C ' ' A' ' 70' ' ' GLN . 86.7 t -61.28 -53.03 54.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 69' ' ' VAL . 47.9 tt0 -33.49 -52.83 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.32 -46.2 86.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 69' ' ' VAL . 95.4 mt -51.9 -42.32 62.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mt -68.5 -41.02 80.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -61.05 -30.85 70.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.24 -27.73 53.14 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.401 ' HB ' ' NH2' ' A' ' 78' ' ' ARG . 68.6 p -69.32 -22.39 63.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 111.183 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.22 -32.58 5.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.401 ' NH2' ' HB ' ' A' ' 76' ' ' THR . 23.4 mtm-85 -80.81 165.91 21.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -103.59 121.59 43.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.83 110.98 23.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.1 t -101.18 105.79 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.567 HD12 ' CE1' ' A' ' 23' ' ' PHE . 24.2 tp -50.24 134.39 22.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.877 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.799 0.333 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.438 ' CD2' ' HG2' ' A' ' 47' ' ' GLN . 11.9 tp -58.07 122.63 13.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.4 m -131.47 138.0 48.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.459 ' CG2' HD12 ' A' ' 59' ' ' LEU . 59.9 m -84.7 125.49 32.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.521 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -111.11 112.38 24.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 5.7 mt-10 -79.78 104.81 10.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.532 ' CE1' ' HG ' ' A' ' 82' ' ' LEU . 59.9 m-85 -112.7 115.32 28.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.46 97.18 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.8 t -97.37 131.14 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -79.48 107.38 12.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 8.8 mtm -100.42 165.84 11.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.0 p -133.4 -39.45 0.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.1 p -152.64 176.05 12.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 31' ' ' SER . 46.0 tp60 -43.67 -56.07 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 34' ' ' ASP . 6.8 t -34.25 -66.69 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.9 m -38.55 -48.79 1.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.428 HG13 ' CG1' ' A' ' 51' ' ' VAL . 79.3 t -59.71 -37.06 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 31' ' ' SER . 7.4 t0 -64.07 -45.56 88.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.01 -34.64 78.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.418 HG22 ' NH1' ' A' ' 78' ' ' ARG . 55.7 t -64.68 -45.86 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 41' ' ' GLN . 66.3 mtp85 -71.16 -46.94 60.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -62.61 -45.7 91.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.3 p -55.3 -19.77 9.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 mt -134.44 23.81 3.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 37' ' ' ARG . 54.4 tp60 -85.98 114.75 23.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 50.41 46.74 44.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.5 t -98.92 141.66 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.867 0.365 . . . . 0.0 111.082 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -43.37 130.8 4.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.46 -50.83 2.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 83.7 t -71.2 147.24 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.125 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.438 ' HG2' ' CD2' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -116.7 -31.57 5.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 15.5 t0 -153.72 165.13 36.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.3 p -156.89 112.02 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -103.17 121.35 42.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.428 ' CG1' HG13 ' A' ' 33' ' ' VAL . 11.6 p -105.74 107.62 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -101.03 99.48 9.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.3 tp -72.72 -33.0 66.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -54.94 -59.27 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.2 22.1 6.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 39.07 46.81 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.459 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 69.4 mmm -119.97 156.76 30.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.405 HG12 ' CG1' ' A' ' 36' ' ' VAL . 54.5 t -143.77 115.19 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.459 HD12 ' CG2' ' A' ' 20' ' ' THR . 3.4 mt -101.1 135.12 43.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.9 t -124.16 104.05 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -79.23 89.12 4.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.5 t -136.88 157.57 46.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 60.4 p -79.94 -13.88 59.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.1 mt -76.79 152.15 82.7 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.589 0.709 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.82 51.91 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.312 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 68' ' ' GLU . 2.9 m -40.27 -63.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 66' ' ' SER . 18.0 pt20 -34.6 -34.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 66' ' ' SER . 3.4 tp10 -73.3 -60.25 2.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 76.6 t -53.79 -37.91 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -51.2 -32.65 24.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.45 -39.71 45.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.9 mt -66.67 -28.97 68.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.6 mt -75.17 -48.52 23.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 77' ' ' GLY . 26.1 mt-10 -54.29 -30.89 52.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -42.07 -24.73 0.2 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 74' ' ' GLU . 63.4 p -86.17 24.41 1.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.806 0.336 . . . . 0.0 111.147 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . 57.19 35.32 69.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.418 ' NH1' HG22 ' A' ' 36' ' ' VAL . 31.2 mtp180 -131.81 171.33 13.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.885 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -104.81 135.43 46.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -121.02 111.39 17.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.12 118.75 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.178 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.532 ' HG ' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -76.4 121.2 22.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.834 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.819 0.342 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.454 ' CD2' ' HG2' ' A' ' 47' ' ' GLN . 14.2 tp -68.81 128.09 35.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.0 p -128.69 154.14 46.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.0 m -102.99 125.92 49.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 mt -116.15 119.05 34.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.454 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 21.2 mt-10 -101.18 103.59 14.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.547 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 79.0 m-85 -105.12 137.03 43.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.77 97.87 11.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.456 ' CG2' HG22 ' A' ' 58' ' ' VAL . 48.0 t -98.61 147.33 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -90.77 118.42 30.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.1 mtm -132.33 138.29 47.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.3 p -107.81 -60.56 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.171 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.529 ' HG ' ' N ' ' A' ' 30' ' ' GLN . 2.6 t -107.01 149.26 27.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.529 ' N ' ' HG ' ' A' ' 29' ' ' CYS . 22.5 tp60 -33.65 -41.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 34' ' ' ASP . 18.0 p -34.38 -69.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' SER . 74.1 m -36.52 -46.53 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.402 ' CG2' ' HB2' ' A' ' 53' ' ' LEU . 67.6 t -61.72 -40.76 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' SER . 7.1 m-20 -59.67 -41.72 91.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.74 -54.77 9.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.7 t -41.47 -44.88 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' GLN . 59.7 mtm180 -67.41 -54.46 20.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -54.77 -31.26 58.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.7 t -60.8 -35.67 77.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mt -126.73 20.57 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 37' ' ' ARG . 14.6 tt0 -71.23 110.05 5.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 45.05 44.77 9.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' ALA . 79.4 t -96.28 143.89 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.862 0.363 . . . . 0.0 111.091 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -36.35 141.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.02 -52.63 4.27 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.3 t -64.85 137.02 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.454 ' HG2' ' CD2' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -109.03 -33.22 6.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.449 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 8.7 t0 -158.5 154.29 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.427 HG21 ' C ' ' A' ' 48' ' ' ASP . 76.1 t -147.79 115.86 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -106.98 112.44 25.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.456 HG13 ' CG ' ' A' ' 37' ' ' ARG . 9.3 p -104.5 124.05 58.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -117.55 104.85 11.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.402 ' HB2' ' CG2' ' A' ' 33' ' ' VAL . 4.5 tp -71.6 -29.73 65.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -57.64 -48.58 79.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 56' ' ' GLN . 1.2 m-20 -103.4 25.17 9.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 55' ' ' ASP . 8.1 mm-40 34.45 45.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.454 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 54.9 mmm -114.35 158.01 22.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.456 HG22 ' CG2' ' A' ' 25' ' ' VAL . 48.6 t -140.49 112.59 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.446 ' HG ' ' CG ' ' A' ' 22' ' ' GLU . 3.4 mp -97.13 153.2 18.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.5 t -151.5 104.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -87.7 95.11 9.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.8 t -141.94 159.56 41.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.0 p -79.09 -12.11 60.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.3 mt -74.06 151.92 88.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.658 0.742 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 146.42 60.61 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.723 2.282 . . . . 0.0 112.379 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.3 p -45.98 -34.79 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -62.94 -37.01 85.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -71.68 -50.23 32.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.04 -46.25 96.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -41.76 -54.87 3.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.24 97.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.1 mt -56.58 -29.73 62.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.3 mt -79.68 -51.37 9.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -52.39 -22.14 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.25 -7.75 20.36 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.5 p -91.11 -3.23 57.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 0.0 111.18 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.21 -48.95 0.88 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.455 ' CD ' ' CG1' ' A' ' 25' ' ' VAL . 6.7 ptp85 -80.77 172.56 13.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 110.844 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.409 ' HG2' ' N ' ' A' ' 80' ' ' ALA . 66.0 tt0 -102.81 164.67 11.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.409 ' N ' ' HG2' ' A' ' 79' ' ' GLN . . . -133.01 111.71 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.9 t -96.42 104.83 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.547 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 9.5 tp -55.44 133.66 50.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.419 ' HA ' ' NZ ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.852 0.358 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.459 ' CD2' ' HG2' ' A' ' 47' ' ' GLN . 13.6 tp -71.54 124.02 23.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.8 m -131.34 147.31 52.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.422 ' C ' HD11 ' A' ' 21' ' ' LEU . 25.2 m -94.56 125.78 39.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.465 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -111.43 109.99 20.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.46 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 13.4 mt-10 -78.38 110.58 13.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 21' ' ' LEU . 61.7 m-85 -117.8 114.84 23.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.43 97.52 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.473 ' CG1' ' HD2' ' A' ' 78' ' ' ARG . 91.7 t -97.25 134.86 33.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.402 ' N ' HG11 ' A' ' 25' ' ' VAL . 7.8 tt0 -83.62 105.27 14.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.1 mtm -119.63 150.39 40.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.5 p -121.43 -48.15 2.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' GLN . 1.4 t -124.72 152.33 43.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' VAL . 15.9 tp60 -35.23 -44.07 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' GLN . 12.4 m -34.09 -55.99 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.42 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 7.3 m -56.91 -44.47 82.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.472 HG13 ' CG2' ' A' ' 51' ' ' VAL . 53.4 t -60.66 -43.93 95.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -55.77 -52.0 65.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.64 -38.0 89.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' A' ' 32' ' ' CYS . 98.9 t -59.34 -49.85 81.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' GLN . 55.1 mtt180 -68.42 -51.98 37.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.409 ' HA ' ' CB ' ' A' ' 41' ' ' GLN . 42.9 tttt -55.6 -44.85 77.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.6 p -50.38 -27.56 6.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 mt -129.82 17.61 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 37' ' ' ARG . 22.3 tt0 -79.54 106.75 11.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.36 42.0 98.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 44' ' ' ALA . 78.3 t -101.47 136.79 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.352 . . . . 0.0 111.076 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -35.89 138.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.26 -50.67 4.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.2 t -71.67 138.7 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.756 0.312 . . . . 0.0 111.177 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -109.76 -37.43 5.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.468 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 10.1 m-20 -153.41 156.26 37.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.3 p -150.85 116.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.504 ' OE1' ' CD2' ' A' ' 61' ' ' HIS . 16.3 mp0 -101.75 143.46 31.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.472 ' CG2' HG13 ' A' ' 33' ' ' VAL . 2.8 p -129.19 107.14 14.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -101.96 102.09 12.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.6 tp -71.89 -30.42 65.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -59.27 -47.66 84.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 56' ' ' GLN . 3.6 m-20 -104.92 22.88 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 55' ' ' ASP . 4.3 mm-40 37.26 44.48 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.46 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 47.6 mmm -116.35 157.98 24.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.4 t -148.23 115.8 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.148 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 mt -99.51 145.0 27.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.2 t -132.95 99.16 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.504 ' CD2' ' OE1' ' A' ' 50' ' ' GLU . 7.8 m-70 -74.75 88.92 2.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.458 ' CG2' HG22 ' A' ' 69' ' ' VAL . 5.2 t -136.66 155.04 50.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.7 p -80.72 -9.11 59.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.7 mt -78.6 152.27 77.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.592 0.711 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.7 Cg_endo -69.79 139.83 41.07 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 65' ' ' PRO . 7.8 t -34.1 -64.32 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 66' ' ' SER . 15.5 pt20 -35.36 -46.57 0.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 22.7 tt0 -60.07 -57.53 12.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.458 HG22 ' CG2' ' A' ' 62' ' ' THR . 55.2 t -58.14 -55.55 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 69' ' ' VAL . 48.1 tt0 -34.46 -47.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.11 -46.91 82.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.057 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 69' ' ' VAL . 25.2 mt -54.38 -27.95 39.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.0 mt -79.31 -42.33 25.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.942 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -62.89 -20.52 65.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.49 -27.67 72.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.451 ' OG1' ' CZ ' ' A' ' 78' ' ' ARG . 82.6 p -71.37 -24.74 62.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 111.171 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.24 -39.17 1.94 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.473 ' HD2' ' CG1' ' A' ' 25' ' ' VAL . 5.0 ptt-85 -80.69 172.23 14.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 110.877 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -102.84 153.75 19.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.06 110.13 10.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.7 t -98.18 126.67 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.2 tp -76.18 116.67 17.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.776 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.797 0.332 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.469 HD13 ' CG ' ' A' ' 47' ' ' GLN . 1.4 tt -94.86 121.22 36.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.3 m -134.39 154.35 51.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.466 ' CG2' HD13 ' A' ' 59' ' ' LEU . 11.3 m -90.24 106.08 18.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.432 ' CD1' HG21 ' A' ' 69' ' ' VAL . 4.1 mt -82.47 122.18 27.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -93.75 112.03 23.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.468 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 64.8 m-85 -116.81 154.13 31.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.79 96.03 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.9 t -102.64 136.53 34.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -87.17 116.11 25.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 13.7 mtm -117.57 169.58 9.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.8 p -128.78 -53.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.6 p -135.19 -179.06 5.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' VAL . 3.6 tm0? -50.94 -51.89 47.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' GLN . 14.8 m -36.57 -51.08 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.447 ' SG ' ' NH2' ' A' ' 78' ' ' ARG . 13.2 m -55.68 -41.97 74.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 30' ' ' GLN . 78.7 t -63.27 -42.66 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -57.84 -49.6 76.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.52 -60.7 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.063 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.2 t -45.64 -47.25 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 41' ' ' GLN . 60.6 mtt-85 -62.17 -57.6 10.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -51.43 -35.97 41.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.427 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 35.7 t -58.9 -27.99 65.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.406 ' C ' HG23 ' A' ' 43' ' ' VAL . 5.9 mt -131.14 19.95 4.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 37' ' ' ARG . 12.4 tt0 -79.6 113.36 17.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 54.32 40.12 67.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.406 HG23 ' C ' ' A' ' 40' ' ' LEU . 59.8 t -93.57 136.64 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.322 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -39.09 124.72 1.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.6 -52.82 0.85 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.424 HG11 ' N ' ' A' ' 47' ' ' GLN . 94.8 t -64.67 137.85 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.344 . . . . 0.0 111.1 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.469 ' CG ' HD13 ' A' ' 18' ' ' LEU . 4.0 pt20 -109.12 -29.42 8.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.469 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 10.9 m-20 -161.75 159.49 27.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -152.28 133.62 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -125.88 131.15 52.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.7 t -112.56 118.27 57.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -109.01 99.58 8.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 52.7 tp -73.03 -23.17 60.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -64.19 -39.99 95.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -116.97 27.09 9.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 55' ' ' ASP . 10.7 mm-40 36.71 37.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.5 mmm -108.89 153.06 24.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 42.0 t -139.68 111.24 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.466 HD13 ' CG2' ' A' ' 20' ' ' THR . 2.8 mt -94.74 135.66 35.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.8 t -128.84 109.36 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -85.29 96.37 9.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.0 t -144.64 158.92 43.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.1 p -85.17 -2.26 57.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.0 mt -84.26 152.7 61.79 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.62 0.724 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 68' ' ' GLU . 54.0 Cg_endo -69.72 138.14 37.26 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.381 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 65' ' ' PRO . 1.9 p -36.6 -39.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -55.7 -46.46 77.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' PRO . 12.8 tt0 -62.31 -55.35 29.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.432 HG21 ' CD1' ' A' ' 21' ' ' LEU . 88.2 t -54.88 -50.47 61.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -38.14 -54.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.74 -48.38 72.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 62.4 mt -54.52 -38.07 66.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.7 mt -70.42 -49.67 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -54.59 -26.45 32.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -49.34 -30.89 12.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.438 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 47.7 p -83.24 19.64 1.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.352 . . . . 0.0 111.116 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.53 32.3 80.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.447 ' NH2' ' SG ' ' A' ' 32' ' ' CYS . 67.3 mtt-85 -119.04 168.86 10.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.799 0.333 . . . . 0.0 110.846 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -111.31 108.28 17.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.11 112.58 24.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.1 t -103.48 112.42 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.468 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 23.7 tp -65.47 120.17 12.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.991 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.801 0.334 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.433 HD12 ' CG ' ' A' ' 47' ' ' GLN . 1.8 tt -89.6 138.78 31.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.8 m -134.37 164.79 26.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.1 m -99.13 121.96 41.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.09 125.82 54.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -99.05 142.97 29.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -141.86 130.97 23.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.41 95.17 9.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.0 t -99.36 141.99 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -89.79 101.88 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.4 mtm -95.54 166.01 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.5 p -131.32 -53.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.4 p -133.39 179.17 6.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' VAL . 41.4 tp60 -48.73 -56.54 8.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 30' ' ' GLN . 36.9 t -34.39 -61.7 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 36.4 m -41.55 -43.33 2.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 30' ' ' GLN . 60.2 t -67.92 -34.79 69.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' SER . 5.7 t0 -61.53 -52.69 63.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.33 -50.93 71.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.423 ' HA ' ' NH2' ' A' ' 78' ' ' ARG . 26.0 t -41.92 -52.06 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 41' ' ' GLN . 37.7 mtp85 -69.59 -53.31 19.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -52.28 -25.67 10.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.2 p -73.96 -26.47 60.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mt -132.39 24.06 4.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.949 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 37' ' ' ARG . 12.5 pt20 -80.61 120.3 24.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 40.3 49.65 3.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 44' ' ' ALA . 99.2 t -108.06 136.4 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.46 ' N ' HG13 ' A' ' 43' ' ' VAL . . . -35.28 134.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.32 -50.28 3.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.6 t -72.49 117.32 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 111.122 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.433 ' CG ' HD12 ' A' ' 18' ' ' LEU . 6.4 pt20 -91.52 -29.76 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -161.7 161.99 29.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -153.63 136.53 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -122.36 130.77 53.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 p -122.35 110.75 27.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.075 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -105.5 122.24 45.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.7 tp -84.67 -50.45 7.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -55.9 -31.06 62.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -103.87 4.84 35.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 43.12 37.02 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 65.9 mmm -112.64 162.38 15.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.3 t -151.77 105.72 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.152 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.417 ' C ' HG22 ' A' ' 60' ' ' VAL . 5.4 mp -89.92 162.53 15.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.417 HG22 ' C ' ' A' ' 59' ' ' LEU . 32.8 t -152.71 105.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.424 ' C ' HD21 ' A' ' 18' ' ' LEU . 10.0 m-70 -86.93 97.45 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.425 ' C ' ' HG ' ' A' ' 18' ' ' LEU . 8.9 t -145.09 163.14 35.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.2 p -87.03 3.11 47.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -90.34 152.24 45.39 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.553 0.692 . . . . 0.0 110.951 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 67' ' ' GLN . 54.5 Cg_endo -69.73 135.45 30.54 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.716 2.277 . . . . 0.0 112.374 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 65' ' ' PRO . 3.4 p -34.31 -33.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' PRO . 5.3 tt0 -58.64 -54.31 48.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -57.11 -51.85 67.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.5 t -57.0 -48.27 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -46.05 -41.85 12.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.38 -37.27 82.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.2 mt -63.83 -37.78 88.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.6 mt -71.97 -45.82 59.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -61.79 -21.2 64.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.36 -31.94 67.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.46 ' CG2' ' CZ ' ' A' ' 78' ' ' ARG . 68.1 p -68.68 -21.76 64.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.848 0.356 . . . . 0.0 111.146 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.91 12.72 29.23 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.455 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.46 ' CZ ' ' CG2' ' A' ' 76' ' ' THR . 7.0 ptt180 -104.51 172.82 6.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.752 0.31 . . . . 0.0 110.868 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -104.66 110.38 22.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.51 123.88 50.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.9 t -119.85 117.36 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.431 HD21 ' N ' ' A' ' 83' ' ' LYS . 1.3 tt -67.69 137.53 55.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.431 ' N ' HD21 ' A' ' 82' ' ' LEU . 30.3 mmtp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -169.64 140.76 2.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.892 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -147.17 163.97 34.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.74 119.63 0.76 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -156.84 166.14 34.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.816 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -160.68 164.41 31.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.67 71.83 0.25 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 34.1 mtt -117.66 145.21 44.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.792 0.329 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.51 116.45 17.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.9 p -43.45 139.1 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -96.63 99.41 11.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.1 p -145.54 112.27 5.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.26 114.89 0.65 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -113.19 123.55 50.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.319 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -131.83 104.01 6.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -164.28 121.66 1.03 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.3 t -161.12 129.75 4.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 0.0 111.18 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.8 tp -85.73 122.92 30.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.8 m -133.65 164.92 26.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.5 m -95.79 132.58 40.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.0 mt -120.52 119.64 33.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -93.73 118.82 31.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -123.06 127.68 49.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.54 96.08 10.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.5 t -99.23 129.9 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -78.09 107.35 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.3 mtm -105.74 163.73 12.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.3 p -129.56 -59.35 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 16.7 p -125.88 174.66 8.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' SER . 63.3 tp60 -44.27 -54.17 5.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' GLN . 31.7 t -34.64 -61.9 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.2 m -47.5 -43.13 24.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 30' ' ' GLN . 59.0 t -68.5 -32.68 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.34 -35.51 63.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.59 -45.92 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.8 t -56.3 -43.92 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.165 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -67.24 -48.06 68.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' HA ' ' CB ' ' A' ' 41' ' ' GLN . 13.1 ttmt -58.5 -44.76 89.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.4 p -48.22 -24.36 1.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mt -133.31 18.18 4.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.443 ' CB ' ' HA ' ' A' ' 38' ' ' LYS . 13.2 tt0 -80.11 114.73 19.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 48.22 48.18 26.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.436 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 44' ' ' ALA . 94.2 t -105.3 136.77 37.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 111.137 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.31 124.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.12 -57.48 1.22 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.489 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.0 t -59.68 130.76 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.328 . . . . 0.0 111.149 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -107.21 -29.42 9.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -160.9 155.89 24.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 70.2 t -152.58 123.62 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -110.11 132.43 54.18 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.5 t -121.64 116.86 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -110.27 110.44 21.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tp -78.02 -19.89 53.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -67.87 -41.67 82.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.32 25.15 11.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 38.98 36.63 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.0 mmm -102.0 160.65 14.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.5 t -154.79 105.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -86.54 162.15 18.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 81.7 t -152.58 108.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -89.31 92.41 9.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.8 t -138.26 160.6 39.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.3 p -81.13 -13.0 59.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.4 mt -80.38 152.86 73.68 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.597 0.713 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 160.24 50.44 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.4 p -57.02 -35.91 69.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -62.9 -25.46 68.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -82.6 -49.42 9.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.1 t -66.86 -38.77 82.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -47.71 -46.65 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.93 97.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.6 mt -62.81 -32.84 74.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.57 -40.91 56.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.97 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -68.11 -22.84 64.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.57 -23.18 64.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.9 p -71.57 -24.28 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 111.143 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.97 -11.29 15.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -96.57 168.27 10.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.319 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -98.45 115.16 27.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -98.17 116.1 29.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.8 t -108.9 128.98 64.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 42.9 tp -72.99 123.02 22.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.74 17.05 7.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 165.3 110.48 0.23 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.0 ttt -110.11 43.68 1.33 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 174.94 171.77 39.32 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.2 m -141.36 162.65 34.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.386 . . . . 0.0 110.91 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 177.7 130.96 1.45 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.532 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -127.15 133.28 50.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.356 . . . . 0.0 110.921 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.9 mt -112.64 115.94 29.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -89.18 163.72 15.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -138.02 133.65 33.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.6 m -105.23 154.9 19.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.92 155.99 10.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 149.07 66.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.257 . . . . 0.0 112.395 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.7 m -101.21 157.73 16.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.6 t -86.86 112.33 21.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 t -170.31 139.53 1.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 t -136.55 145.2 44.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.85 129.72 9.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.425 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 t -66.31 89.35 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.805 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.0 p -48.73 -44.35 38.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.796 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.84 -159.91 49.9 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.6 ttt -157.84 118.26 3.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.98 158.98 15.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.3 p -117.0 121.43 41.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.49 112.58 22.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.2 m -70.13 149.37 47.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -130.37 71.66 0.49 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -108.13 133.44 52.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.751 0.31 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -150.13 166.83 28.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.98 -51.79 0.84 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.1 m -45.0 99.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.809 0.338 . . . . 0.0 111.168 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.462 HD12 ' CG ' ' A' ' 47' ' ' GLN . 2.1 tt -100.25 125.23 46.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.2 m -133.9 163.39 29.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.7 m -94.52 134.07 37.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.1 mt -120.76 126.99 51.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -101.82 108.16 19.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -111.42 127.04 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.416 ' CB ' ' HE3' ' A' ' 83' ' ' LYS . . . -87.42 97.12 10.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.066 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 26' ' ' GLN . 48.8 t -99.66 137.09 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.401 ' N ' HG12 ' A' ' 25' ' ' VAL . 23.2 tp60 -88.64 103.57 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.443 ' HE2' ' CG2' ' A' ' 58' ' ' VAL . 18.9 mtm -100.69 170.02 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.2 p -129.72 -48.63 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.7 p -140.16 175.29 9.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 31' ' ' SER . 9.2 tp-100 -43.73 -56.46 3.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' GLN . 14.9 t -34.57 -62.95 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.6 m -40.46 -43.74 1.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 30' ' ' GLN . 55.5 t -65.84 -41.01 89.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.125 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.64 -49.95 75.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.07 -54.89 35.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.9 t -47.71 -45.65 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' GLN . 12.0 mtp-105 -66.77 -54.55 21.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -53.76 -32.02 50.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.1 p -67.4 -21.83 65.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.811 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -134.73 20.99 3.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -81.11 116.97 21.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 42.58 36.92 2.47 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 44' ' ' ALA . 89.5 t -87.11 141.46 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 111.13 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.88 117.02 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.059 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.28 -49.73 1.04 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.441 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.8 t -69.6 123.55 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.462 ' CG ' HD12 ' A' ' 18' ' ' LEU . 5.7 pt20 -98.37 -25.69 14.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -164.98 159.81 18.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.8 p -155.75 132.51 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -117.41 144.05 45.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.409 ' CG1' HG11 ' A' ' 33' ' ' VAL . 96.6 t -129.95 113.7 27.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -109.6 103.19 12.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.9 tp -70.16 -34.96 73.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -49.92 -45.38 50.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 56' ' ' GLN . 1.0 OUTLIER -114.91 27.93 9.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' ASP . 3.3 mm-40 37.72 39.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.1 mmm -102.87 159.01 15.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.443 ' CG2' ' HE2' ' A' ' 27' ' ' MET . 96.3 t -155.48 106.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.1 mp -86.74 158.56 19.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 87.8 t -146.7 104.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -88.1 97.58 11.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.451 HG22 ' CG2' ' A' ' 69' ' ' VAL . 12.7 t -144.86 162.87 35.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.9 p -86.98 0.49 55.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.089 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.4 mt -90.29 152.88 46.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.622 0.725 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 144.77 54.87 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.328 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.4 m -44.18 -34.12 1.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -59.26 -51.57 69.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -60.47 -53.54 56.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.451 ' CG2' HG22 ' A' ' 62' ' ' THR . 77.3 t -56.73 -45.6 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -47.77 -42.71 26.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.96 90.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.09 -41.01 97.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.8 mt -67.69 -41.04 84.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -62.67 -25.16 68.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.77 -30.42 72.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 49.1 p -66.15 -24.47 66.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.83 0.347 . . . . 0.0 111.138 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.36 -18.59 10.15 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.528 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -92.89 171.17 9.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -106.33 120.99 43.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.86 111.24 23.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.2 t -101.38 110.22 27.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.2 tp -61.67 129.08 39.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.416 ' HE3' ' CB ' ' A' ' 24' ' ' ALA . 37.0 mmtt -102.55 -55.6 2.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -165.62 135.87 3.91 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 50.6 mtm -80.49 90.43 5.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 50.96 -159.0 1.95 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.5 t -152.37 147.77 26.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.85 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.1 103.71 0.29 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.507 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -102.09 117.82 35.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.336 . . . . 0.0 110.928 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.8 mt -48.67 -47.01 40.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -109.94 87.7 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -90.74 -54.03 4.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 m -103.43 165.36 11.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -120.86 63.85 0.49 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 -26.18 27.91 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.687 2.258 . . . . 0.0 112.393 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.3 p -148.56 116.69 6.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 61.8 m -84.49 134.93 34.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.7 p 39.12 41.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.391 . . . . 0.0 110.903 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.1 t -68.07 136.76 54.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.57 -176.73 14.52 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.479 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -159.61 173.78 15.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 110.853 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p -145.88 153.68 41.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.11 179.27 28.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.522 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.8 tpt -174.89 146.54 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.73 160.78 18.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -165.2 147.67 7.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -120.34 157.16 29.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.4 p -164.6 165.68 20.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -170.54 143.73 7.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -111.73 42.84 1.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.75 40.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.89 172.31 33.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.4 m -149.39 106.52 3.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 111.166 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.7 tp -68.78 121.47 16.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 m -133.59 161.96 33.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.462 ' CG2' HD22 ' A' ' 59' ' ' LEU . 11.3 m -91.68 136.33 33.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.05 116.7 18.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.453 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 14.7 mt-10 -88.15 141.03 28.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -143.48 117.6 9.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.29 96.59 4.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.058 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.0 t -97.55 135.44 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -84.13 102.85 12.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.1 mtm -102.79 169.17 8.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.5 p -132.23 -39.66 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.3 p -151.95 175.76 12.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' SER . 41.8 tp60 -42.35 -57.36 2.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' GLN . 25.7 t -37.56 -60.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.841 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.3 m -41.64 -38.56 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.422 HG12 ' NE ' ' A' ' 37' ' ' ARG . 67.7 t -69.71 -43.89 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -52.48 -58.75 5.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.63 -64.15 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 74.7 t -42.65 -50.85 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 41' ' ' GLN . 84.6 mtm180 -59.38 -55.91 28.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -50.47 -42.55 54.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.8 p -57.26 -23.35 47.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 mt -134.1 23.79 3.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 37' ' ' ARG . 24.7 tp60 -86.33 108.39 18.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 50.06 34.84 24.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 44' ' ' ALA . 79.2 t -86.86 142.94 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.835 0.35 . . . . 0.0 111.101 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.75 109.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.03 -48.66 0.93 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.4 t -67.69 122.69 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 111.092 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -97.87 -33.47 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 15.7 m-20 -158.05 161.78 38.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.5 p -153.77 124.94 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -110.09 133.95 52.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.431 HG22 ' CG ' ' A' ' 37' ' ' ARG . 39.2 t -122.0 107.82 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -100.2 101.54 12.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.2 tp -71.04 -29.74 65.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -59.02 -39.94 83.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -116.86 22.83 12.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 41.97 33.33 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.453 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 65.7 mmm -99.36 157.4 16.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.1 t -152.21 108.09 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.462 HD22 ' CG2' ' A' ' 20' ' ' THR . 4.9 mp -89.24 156.71 18.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.432 HG23 ' C ' ' A' ' 59' ' ' LEU . 92.6 t -141.53 107.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -87.84 94.3 9.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.6 t -144.59 162.09 37.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.128 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.6 p -84.26 -6.22 59.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.5 mt -81.3 152.2 70.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.588 0.709 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 145.03 55.86 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.634 2.223 . . . . 0.0 112.389 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -39.96 -32.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -64.7 -52.99 54.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -57.24 -39.7 76.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.1 t -70.54 -53.94 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -42.78 -48.08 5.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.96 89.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.0 mt -56.07 -41.86 75.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.7 mt -66.07 -47.41 74.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -58.38 -25.94 62.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.93 -22.29 62.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 65.5 p -75.07 -23.77 58.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 111.18 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.61 -40.72 1.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -81.23 171.97 14.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -100.09 147.3 25.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -124.29 115.39 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.7 t -98.27 126.18 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.5 tp -72.32 120.8 18.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -130.65 30.8 4.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 85' ' ' MET . . . -149.38 -82.29 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.457 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 84' ' ' GLY . 10.8 tpt -34.34 104.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.351 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -173.28 -44.81 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.451 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.0 p -85.99 143.4 28.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.368 . . . . 0.0 110.874 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 120.21 171.32 14.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -102.39 147.04 27.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.9 tt -143.22 153.54 42.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -111.61 96.95 6.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 41.8 p-10 -71.79 155.71 40.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.3 p -120.06 -23.49 6.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.47 165.0 15.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -179.82 3.17 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.737 2.292 . . . . 0.0 112.325 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.4 m -147.5 129.17 15.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.822 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 t -154.18 125.18 7.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m 63.19 42.17 7.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.858 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 m -105.36 116.07 31.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.16 -154.35 6.12 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 m -72.28 109.49 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 110.852 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.2 p -57.66 -59.54 5.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.61 -132.59 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.479 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.427 ' O ' ' C ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -126.29 90.88 3.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' MET . . . -35.72 107.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -150.56 125.91 10.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -109.76 121.83 46.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.3 m -76.2 115.76 16.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -170.65 84.35 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.441 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -47.71 138.5 8.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -96.12 143.71 27.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.29 136.43 2.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.5 m -155.25 125.19 6.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.798 0.332 . . . . 0.0 111.175 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.455 ' CD1' ' HG2' ' A' ' 47' ' ' GLN . 2.2 tt -54.15 120.0 5.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 p -132.93 143.81 49.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.403 ' C ' HD12 ' A' ' 21' ' ' LEU . 87.0 m -98.33 120.16 38.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.19 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.516 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -113.82 120.36 40.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -89.11 111.0 21.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.516 ' CE2' ' HB2' ' A' ' 21' ' ' LEU . 77.6 m-85 -113.49 117.59 32.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.51 100.48 8.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.2 t -97.21 136.4 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -86.19 101.36 12.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 24.3 mtm -106.43 151.15 25.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.7 p -122.15 -21.63 5.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.124 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.3 p -152.39 -177.33 6.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 33' ' ' VAL . 1.2 mp0 -61.2 -55.4 32.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' GLN . 17.9 t -34.27 -64.31 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 30.1 m -44.25 -39.49 4.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 30' ' ' GLN . 77.9 t -73.01 -42.42 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.73 -43.66 85.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.14 -37.79 81.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 80.8 t -61.33 -45.22 99.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' GLN . 41.9 mtp180 -67.37 -57.89 5.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' C ' ' HD3' ' A' ' 38' ' ' LYS . 4.2 tmtt? -51.59 -36.37 45.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.5 m -57.11 -31.3 65.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.6 mt -129.77 19.99 5.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 37' ' ' ARG . 20.0 tt0 -79.11 113.54 17.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 50.65 32.9 25.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.3 t -90.56 144.12 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.785 0.326 . . . . 0.0 111.168 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -38.66 135.37 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.86 -45.75 3.53 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.436 ' CG1' HG22 ' A' ' 49' ' ' VAL . 96.5 t -73.6 116.66 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.765 0.317 . . . . 0.0 111.159 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.455 ' HG2' ' CD1' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -93.65 -29.69 15.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -159.32 157.24 30.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.436 HG22 ' CG1' ' A' ' 46' ' ' VAL . 84.9 t -155.04 133.34 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -120.89 132.48 54.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.473 HG13 ' CG ' ' A' ' 37' ' ' ARG . 8.1 p -121.45 102.17 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -97.5 108.36 21.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.2 tp -71.19 -37.75 72.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.79 -60.09 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 56' ' ' GLN . 10.0 m-20 -95.35 25.84 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 55' ' ' ASP . 8.5 mm-40 35.77 38.1 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 45.6 mmm -103.96 154.79 19.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.3 t -149.92 106.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.421 ' C ' HG23 ' A' ' 60' ' ' VAL . 5.2 mp -87.02 159.79 18.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.421 HG23 ' C ' ' A' ' 59' ' ' LEU . 91.7 t -150.5 104.96 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -88.57 90.03 8.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.5 t -135.46 158.0 45.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.117 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.9 p -77.89 -14.35 59.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.7 mt -74.42 152.45 87.75 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.565 0.698 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 67' ' ' GLN . 54.1 Cg_endo -69.74 135.6 30.92 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' PRO . 10.1 t -35.94 -30.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 65' ' ' PRO . 5.8 tp60 -62.61 -52.48 63.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 65' ' ' PRO . 1.7 tp10 -58.49 -48.23 81.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.6 t -61.91 -50.37 80.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.097 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -45.78 -32.88 2.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.54 -41.02 61.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 78.7 mt -60.11 -36.31 77.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.5 mt -70.21 -48.76 55.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.87 -19.12 49.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.75 -21.62 76.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.6 p -76.03 -18.65 59.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 111.158 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.01 -42.82 1.5 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.579 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.2 ptp85 -80.76 172.46 13.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -94.48 159.36 15.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -135.04 110.31 8.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.052 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.1 t -98.67 134.91 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.5 tp -84.7 119.4 25.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -87.98 -50.2 6.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -179.75 103.14 0.17 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.405 ' SD ' ' N ' ' A' ' 86' ' ' GLY . 4.6 ppp? -69.13 -43.27 74.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 0.0 110.839 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.405 ' N ' ' SD ' ' A' ' 85' ' ' MET . . . -74.05 -69.45 1.39 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.6 t 61.36 39.67 15.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.33 162.99 19.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -98.53 111.32 23.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 91' ' ' GLN . 23.3 tp -67.58 154.43 41.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.417 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 20.4 pt20 -103.04 157.13 17.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -115.07 109.03 17.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.3 m -54.6 -50.98 66.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 165.84 -167.47 39.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 2.29 3.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.645 2.23 . . . . 0.0 112.362 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.5 t -83.97 156.56 22.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.7 m -57.1 94.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.522 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 t -129.52 161.98 29.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 t -146.57 177.03 9.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.79 107.36 0.35 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.0 p -125.97 166.59 16.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 t -53.57 144.74 16.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.19 -44.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.52 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.8 tmm? -156.27 108.69 2.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.773 0.32 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.16 101.65 1.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.8 p -60.33 145.23 48.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -98.36 156.37 16.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.3 m -119.44 -57.58 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 155.71 155.25 7.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.426 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.412 ' O ' ' CG ' ' A' ' 14' ' ' ASN . 37.6 t30 -90.6 40.64 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.768 0.318 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -40.77 146.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.91 125.97 0.9 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.5 m -133.58 127.51 33.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.839 0.352 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.47 HD13 ' CG ' ' A' ' 47' ' ' GLN . 1.6 tt -84.69 126.81 33.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 74.6 m -134.19 157.54 45.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.2 m -92.1 130.14 37.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.8 mt -116.4 124.04 49.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.961 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -99.42 119.56 38.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 78.6 m-85 -122.46 131.68 53.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.429 ' HB1' ' CG ' ' A' ' 83' ' ' LYS . . . -94.29 98.03 10.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.9 t -99.77 145.39 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -88.67 117.07 27.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 21.3 mtm -129.21 156.9 43.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.8 p -127.89 -48.82 1.36 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 3.4 t -122.08 157.79 30.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 31' ' ' SER . 36.7 tp60 -41.32 -40.48 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 30' ' ' GLN . 6.3 m -34.75 -49.63 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.0 m -61.05 -52.59 64.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 82.9 t -52.7 -32.94 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -71.3 -51.04 26.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.02 -55.2 35.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.2 t -45.14 -49.79 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HD2' ' CG1' ' A' ' 51' ' ' VAL . 52.2 mtp85 -69.44 -55.3 10.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -53.01 -25.06 10.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.8 t -72.76 -35.84 67.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mt -120.47 28.99 7.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.65 106.31 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 38.84 44.36 1.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 44' ' ' ALA . 48.0 t -85.46 139.23 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -33.93 117.38 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.86 -47.99 0.99 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 42.8 t -80.69 117.05 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.337 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.47 ' CG ' HD13 ' A' ' 18' ' ' LEU . 5.4 pt20 -85.14 -29.08 25.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 5.4 m-20 -159.18 164.09 35.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.3 p -155.73 128.71 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -116.95 132.04 56.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.42 ' CG1' ' HD2' ' A' ' 37' ' ' ARG . 3.3 p -123.79 112.75 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.094 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -105.64 108.69 20.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.0 tp -76.41 -25.83 54.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -67.67 -45.45 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 56' ' ' GLN . 2.0 m-20 -105.52 26.46 9.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 55' ' ' ASP . 26.0 mm-40 34.8 35.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 55' ' ' ASP . 46.7 mmm -106.36 159.32 16.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 83.9 t -154.23 107.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.36 162.1 17.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.1 t -151.21 107.43 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -90.78 97.41 11.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.4 t -143.18 162.94 34.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.0 p -88.44 1.23 55.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mt -85.06 152.25 58.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.626 0.727 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.8 Cg_endo -69.75 139.16 39.6 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.646 2.231 . . . . 0.0 112.397 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 65' ' ' PRO . 17.0 t -34.52 -63.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' SER . 9.6 pt20 -37.5 -44.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 65' ' ' PRO . 10.5 tp10 -64.44 -59.8 3.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.4 t -50.26 -40.14 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -51.72 -35.46 43.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.56 -41.44 54.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.1 mt -62.0 -20.9 64.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 35.7 mt -91.69 -42.91 9.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -62.93 -18.78 63.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.78 -26.55 71.2 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 28.8 p -69.95 -8.47 49.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 111.128 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.77 8.57 60.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -115.11 163.55 15.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -97.5 120.37 37.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -105.31 120.46 41.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.4 t -105.58 104.85 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.425 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 20.7 tp -57.97 118.72 5.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.429 ' CG ' ' HB1' ' A' ' 24' ' ' ALA . 7.0 mmpt? -94.6 -51.99 4.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -141.19 123.47 2.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.6 ttp -93.34 -56.12 3.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -179.04 98.73 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.3 p -151.37 130.84 12.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.896 0.379 . . . . 0.0 110.88 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -68.0 -148.98 0.18 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 90' ' ' LEU . 47.2 tt0 -105.3 105.95 16.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 110.961 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 89' ' ' GLN . 35.1 tp -34.67 148.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -129.28 155.11 46.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.52 158.99 11.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 p -165.72 129.07 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.48 -171.07 20.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 156.76 62.43 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.637 2.225 . . . . 0.0 112.36 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.7 t -157.78 173.01 17.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.6 t -123.59 -56.87 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -139.83 127.39 21.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.854 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -42.28 -45.73 4.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.35 69.77 0.21 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -67.63 152.06 46.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.381 . . . . 0.0 110.843 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -111.79 171.11 7.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.788 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.59 76.57 0.41 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.531 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.6 mtp -51.05 103.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.763 0.316 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.64 132.37 53.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.8 t -109.8 153.47 24.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -164.26 167.18 20.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.0 t -132.92 146.72 52.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.17 -173.41 46.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -158.75 143.74 16.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -144.34 155.06 43.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -149.5 -140.67 3.3 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -157.4 122.25 4.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 111.12 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.49 114.86 15.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 97.7 m -134.34 149.79 50.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.1 m -88.9 120.26 30.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.455 ' CD1' HG23 ' A' ' 69' ' ' VAL . 3.0 mt -107.27 127.18 53.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' CG ' HD13 ' A' ' 59' ' ' LEU . 11.1 mt-10 -93.43 132.2 37.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 58' ' ' VAL . 51.0 m-85 -136.26 120.82 18.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.13 95.02 10.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.459 ' CG2' HG21 ' A' ' 58' ' ' VAL . 15.2 t -99.98 143.94 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.165 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -87.06 127.19 35.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.8 mtm -134.55 154.15 51.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.8 p -122.85 -62.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.5 ' HG ' ' N ' ' A' ' 30' ' ' GLN . 1.7 t -108.42 148.59 29.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.5 ' N ' ' HG ' ' A' ' 29' ' ' CYS . 11.9 tp60 -33.65 -42.34 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' GLN . 30.8 p -34.11 -67.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.491 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 58.4 m -38.73 -44.85 1.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.7 t -64.98 -41.07 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' SER . 3.2 t0 -57.54 -50.52 72.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.73 -55.04 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 32' ' ' CYS . 85.7 t -39.7 -38.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' GLN . 59.3 mtp180 -74.89 -53.51 8.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -53.42 -35.53 60.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 92.7 p -59.74 -31.52 69.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mt -127.14 20.11 6.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 37' ' ' ARG . 11.4 tt0 -73.95 108.63 6.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 49.28 41.02 30.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 92.9 t -92.09 141.32 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -37.47 145.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.61 -52.21 3.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.404 HG11 ' CG2' ' A' ' 49' ' ' VAL . 94.1 t -66.52 130.13 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.342 . . . . 0.0 111.106 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.457 ' NE2' ' HB2' ' A' ' 48' ' ' ASP . 0.8 OUTLIER -100.64 -32.47 10.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.457 ' HB2' ' NE2' ' A' ' 47' ' ' GLN . 2.6 t70 -158.04 154.93 28.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.404 ' CG2' HG11 ' A' ' 46' ' ' VAL . 97.2 t -146.46 129.15 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -126.85 112.46 15.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.34 127.33 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.519 ' N ' ' CD2' ' A' ' 52' ' ' HIS . 1.5 m-70 -116.18 115.65 26.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.4 tp -84.66 -23.6 29.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -68.61 -53.08 24.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' GLN . 7.5 m-20 -97.78 25.22 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' ASP . 3.9 mm-40 34.38 43.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.402 ' C ' HG23 ' A' ' 58' ' ' VAL . 40.9 mmm -111.04 167.21 10.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 23' ' ' PHE . 95.3 t -155.54 109.99 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -103.32 140.6 37.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 99.1 t -136.19 106.46 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -81.34 98.1 8.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.41 HG22 ' CG2' ' A' ' 69' ' ' VAL . 6.8 t -145.19 161.76 38.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.0 p -87.21 -7.18 58.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.421 HD12 ' CD ' ' A' ' 68' ' ' GLU . 6.0 mt -78.17 152.57 79.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 110.912 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.8 Cg_endo -69.8 139.38 39.92 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.332 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' PRO . 71.2 m -34.38 -57.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -38.53 -46.44 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.421 ' CD ' HD12 ' A' ' 64' ' ' LEU . 16.2 tm-20 -61.18 -62.87 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.455 HG23 ' CD1' ' A' ' 21' ' ' LEU . 74.2 t -48.09 -44.56 12.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -46.85 -43.4 18.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.63 94.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.42 -36.67 78.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.5 mt -76.57 -44.48 34.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -61.45 -12.93 16.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.4 -28.09 62.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 72.7 p -77.24 -1.19 28.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 111.148 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.29 27.53 30.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.449 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.3 mtt-85 -125.86 163.61 22.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -102.03 121.48 42.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -100.79 124.03 45.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.4 t -115.92 107.88 23.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.4 tp -60.88 131.85 52.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -121.16 -47.67 2.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.42 -116.96 0.85 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.492 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 7.8 tpt 44.27 48.0 7.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.71 131.74 0.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 t -164.8 167.26 19.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.914 0.387 . . . . 0.0 110.825 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -101.7 88.41 0.7 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -105.49 114.22 28.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.842 0.354 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -167.83 167.99 12.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -171.21 125.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -118.39 128.37 54.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.7 t -152.45 175.83 12.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 151.34 148.22 4.75 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 119.92 6.79 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.738 2.292 . . . . 0.0 112.332 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 99.3 p -77.71 93.21 4.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.809 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.0 m -125.51 138.62 53.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -137.7 138.16 39.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -150.83 169.02 22.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.63 115.94 0.88 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 6' ' ' SER . 4.1 t -92.08 124.01 35.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 5' ' ' SER . 18.6 m -38.27 -46.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.842 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.02 82.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.0 mtp -140.98 166.05 25.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -158.21 165.56 34.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.067 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.4 p -156.6 160.12 39.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -122.32 126.05 47.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.1 p -106.66 168.48 9.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -144.39 -169.53 13.17 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -120.56 -54.22 2.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 39.77 37.51 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.53 80.69 1.38 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.8 m -126.4 116.57 21.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 111.142 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 tt -72.92 113.36 9.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 m -130.46 154.1 48.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.418 HG21 ' CD2' ' A' ' 61' ' ' HIS . 58.7 m -93.06 105.8 17.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.471 ' CD1' HG22 ' A' ' 69' ' ' VAL . 5.5 mt -84.98 125.28 32.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.964 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.412 ' CD ' ' HA2' ' A' ' 86' ' ' GLY . 16.9 mt-10 -95.48 128.81 42.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -131.72 147.77 52.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.93 96.47 6.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.3 t -102.54 135.97 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.57 113.91 26.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.8 mtm -115.0 169.34 9.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.4 p -128.98 -45.2 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.1 p -138.34 -175.87 4.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 31' ' ' SER . 14.1 tp60 -56.34 -49.47 74.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 30' ' ' GLN . 50.8 m -34.23 -68.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 70.9 m -38.65 -53.02 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.19 -48.49 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -47.77 -51.48 22.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.46 -58.85 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.7 t -42.49 -38.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 41' ' ' GLN . 88.8 mtt180 -72.46 -53.19 12.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -57.3 -30.06 64.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.433 ' HB2' ' CG2' ' A' ' 76' ' ' THR . 28.9 t -65.02 -22.0 66.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.799 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mt -132.89 10.55 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 37' ' ' ARG . 2.5 tm0? -75.42 109.86 9.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 58.36 46.2 93.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.3 t -104.06 136.64 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 111.086 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -37.67 141.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.88 -49.17 3.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.6 t -65.41 137.6 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.4 OUTLIER -113.19 -30.42 6.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.402 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 7.3 t0 -162.96 152.37 15.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.6 t -141.8 114.54 4.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -99.95 119.96 39.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.9 t -109.41 109.82 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -101.16 103.84 14.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.1 tp -76.46 -29.39 56.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.39 -52.05 67.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -102.07 25.52 8.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 39.7 38.85 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 37.3 mmm -109.87 160.75 16.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.1 t -155.42 107.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.619 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -94.63 149.99 20.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.8 t -133.46 109.03 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.433 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 4.9 m170 -85.04 94.5 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.0 t -143.7 163.54 32.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.7 p -85.1 -10.58 56.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.203 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.9 mt -78.38 152.2 78.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.666 0.746 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 151.99 69.06 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.6 t -48.04 -57.59 5.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -41.16 -39.89 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -67.77 -63.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.471 HG22 ' CD1' ' A' ' 21' ' ' LEU . 61.7 t -48.77 -47.35 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 69' ' ' VAL . 19.7 tt0 -36.49 -49.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -43.48 95.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 69' ' ' VAL . 78.9 mt -56.58 -41.46 76.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.7 mt -72.72 -49.03 33.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -56.02 -25.63 45.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.7 -34.09 75.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.534 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.433 ' CG2' ' HB2' ' A' ' 39' ' ' SER . 78.9 p -66.7 -23.03 66.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.854 0.359 . . . . 0.0 111.12 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.61 32.07 4.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.8 mtp85 -128.54 163.83 24.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.76 0.314 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -96.77 109.79 22.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.1 113.86 25.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 65.8 t -104.52 104.6 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.1 tp -54.16 125.02 17.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -88.8 -60.21 2.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -163.57 35.79 0.31 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' ' 84' ' ' GLY . 11.9 mtm 35.66 31.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.858 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 84' ' ' GLY . . . 92.63 49.58 2.71 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.2 t -86.66 -51.82 5.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.933 0.397 . . . . 0.0 110.846 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 111.62 69.62 0.57 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.54 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -92.25 87.37 6.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 25.1 tp -67.16 124.57 23.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -81.73 172.72 13.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -169.48 150.29 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 94.8 p -118.43 171.84 7.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.823 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 156.34 82.91 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 124.92 11.56 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.7 t -158.79 146.25 17.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.8 t -161.22 145.42 13.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.504 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 m -144.48 164.78 29.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -144.64 109.4 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.872 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.42 167.58 12.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.4 p -169.54 166.42 10.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 110.851 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.7 m -133.06 161.23 34.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.24 -176.34 21.64 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.529 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -153.46 115.54 4.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.353 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.55 108.58 4.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.072 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.5 p -150.12 112.61 4.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -123.32 99.5 6.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 m -125.35 126.86 45.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.41 -159.16 32.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -116.21 135.25 54.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.736 0.303 . . . . 0.0 110.909 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -108.97 43.59 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.24 80.18 1.28 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 t -142.47 122.37 13.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 111.145 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.414 HD22 ' CD ' ' A' ' 47' ' ' GLN . 53.8 tp -93.19 123.09 36.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 51.7 m -134.41 151.82 51.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.4 m -90.12 124.42 34.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.8 mt -112.04 121.69 45.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.462 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 8.7 mt-10 -101.53 111.84 24.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -116.1 124.17 49.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.61 99.41 10.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.8 t -100.19 144.24 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -90.53 112.54 24.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 21.1 mtm -120.87 162.17 20.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.2 p -124.6 -57.33 1.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 30' ' ' GLN . 17.5 t -125.49 162.04 25.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.466 ' C ' ' O ' ' A' ' 29' ' ' CYS . 17.2 tp60 -32.94 -49.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 30' ' ' GLN . 13.2 t -33.03 -69.94 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 89.2 m -40.76 -40.81 1.41 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' GLN . 90.7 t -71.84 -40.05 68.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -57.71 -34.84 69.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.05 -44.8 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.1 t -53.2 -46.53 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 41' ' ' GLN . 70.3 mtp180 -68.23 -57.02 6.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -53.2 -30.56 38.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.6 m -61.84 -37.67 85.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.46 ' CD2' HD11 ' A' ' 72' ' ' LEU . 4.5 mt -123.93 20.04 9.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 37' ' ' ARG . 1.8 tt0 -71.8 112.86 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 43.94 40.74 5.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.402 HG23 ' C ' ' A' ' 40' ' ' LEU . 58.6 t -91.99 145.21 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 111.116 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.93 124.0 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.7 -47.94 1.28 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.5 t -74.75 135.28 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 3.8 pt20 -106.02 -28.74 10.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.466 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 5.6 t70 -161.4 166.5 27.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.2 t -156.93 118.76 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -107.17 123.15 47.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.468 HG23 ' CG ' ' A' ' 37' ' ' ARG . 53.3 t -105.57 133.41 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -125.7 106.25 9.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.6 tp -80.07 -28.7 39.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -60.55 -43.93 96.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -111.26 21.06 16.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 40.84 41.25 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.462 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 61.2 mmm -106.67 151.86 24.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.0 t -139.44 108.12 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.0 mp -91.31 158.8 16.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.1 t -152.74 104.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -87.44 99.19 11.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.427 HG21 ' CG2' ' A' ' 69' ' ' VAL . 9.6 t -143.7 161.94 37.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.2 p -87.28 4.94 40.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.157 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.4 mt -90.48 152.5 45.4 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.611 0.72 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.1 Cg_endo -69.71 140.03 41.85 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.357 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' PRO . 68.0 p -33.82 -64.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 66' ' ' SER . 14.6 pt20 -34.63 -46.71 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.34 -61.21 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.427 ' CG2' HG21 ' A' ' 62' ' ' THR . 61.1 t -51.58 -47.0 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -47.64 -40.43 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.8 95.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.46 HD11 ' CD2' ' A' ' 40' ' ' LEU . 90.7 mt -63.36 -30.87 71.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.4 mt -77.03 -36.26 56.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -69.56 -21.77 63.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.53 -29.85 75.86 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 58.6 p -66.73 -21.52 66.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 111.091 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.83 -10.48 34.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.06 172.07 8.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.742 0.306 . . . . 0.0 110.846 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -104.54 110.25 22.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.8 116.07 28.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.3 t -103.47 122.21 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.9 tp -72.46 121.51 19.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -99.87 -41.67 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 178.27 164.05 30.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -111.55 41.01 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 132.63 63.67 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.4 m -138.11 125.04 21.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.924 0.393 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.31 -152.64 24.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -141.47 119.84 12.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.878 0.37 . . . . 0.0 110.927 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.6 tp -131.0 129.36 41.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -77.31 129.62 36.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -153.96 171.52 18.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 82.4 p -129.6 -39.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 106.5 144.28 11.86 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 178.25 4.74 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.352 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 97' ' ' SER . 7.5 t -157.12 168.42 27.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.907 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 96' ' ' SER . 1.8 m 37.1 42.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.467 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 m -69.91 171.83 8.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.883 0.373 . . . . 0.0 110.84 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.0 p -132.64 -51.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.74 122.07 1.03 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.528 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 m -112.04 154.33 25.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.844 0.354 . . . . 0.0 110.875 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -164.73 117.29 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.76 105.6 0.22 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.446 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.8 ttt -161.71 113.07 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.07 145.41 23.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.076 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 m -124.18 171.15 10.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.19 151.5 31.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 m -126.71 144.41 50.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.45 88.33 0.19 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.9 p30 -103.28 42.15 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.854 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -48.74 -49.5 38.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 58.62 116.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 m -154.23 113.18 3.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.36 . . . . 0.0 111.157 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.1 tp -76.46 116.7 17.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.1 m -134.29 159.2 41.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.4 m -88.75 133.91 34.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.456 ' CD1' HG21 ' A' ' 69' ' ' VAL . 4.2 mt -126.58 109.87 12.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.467 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 10.8 mt-10 -84.58 129.52 34.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.519 ' CZ ' HD12 ' A' ' 82' ' ' LEU . 57.0 m-85 -133.18 119.14 19.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.68 97.04 5.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.401 ' CG1' ' HD2' ' A' ' 78' ' ' ARG . 73.5 t -98.8 137.74 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -70.54 129.19 38.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.7 mtm -143.89 140.49 29.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 70.0 p -122.74 -24.66 4.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 1.9 t -146.2 159.21 43.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.467 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 34.6 tp60 -41.78 -42.17 2.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 34' ' ' ASP . 5.0 t -34.43 -70.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.492 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 70.7 m -37.79 -44.21 0.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.455 HG11 ' CG1' ' A' ' 51' ' ' VAL . 41.8 t -62.18 -41.96 93.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.9 OUTLIER -57.35 -44.37 84.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.52 -43.23 56.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 32' ' ' CYS . 94.4 t -49.36 -44.63 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 41' ' ' GLN . 34.7 mtp85 -66.61 -55.88 13.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' C ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -51.02 -44.71 61.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 p -48.69 -29.49 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mt -132.69 20.66 4.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 37' ' ' ARG . 7.0 tt0 -74.75 119.2 18.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 39.35 37.56 0.78 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 44' ' ' ALA . 38.8 t -86.58 143.63 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 111.165 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.418 ' N ' HG12 ' A' ' 43' ' ' VAL . . . -42.33 108.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 111.0 -48.96 0.88 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.5 t -65.4 125.77 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 0.0 111.175 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -102.57 -32.17 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.441 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 8.6 t0 -156.69 157.41 35.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.9 p -153.37 120.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -110.61 131.37 55.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.455 ' CG1' HG11 ' A' ' 33' ' ' VAL . 39.2 t -116.95 125.78 74.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -121.97 100.57 7.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.0 tp -71.07 -25.98 62.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -60.62 -41.74 95.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 56' ' ' GLN . 1.4 m-20 -112.61 24.07 12.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 55' ' ' ASP . 16.8 mm-40 37.12 44.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.467 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 60.4 mmm -112.86 159.38 19.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.5 t -146.51 105.87 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.0 mp -86.96 159.0 19.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 80.1 t -152.62 107.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -89.77 93.58 9.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.0 t -142.2 163.48 32.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.2 p -84.86 -7.46 59.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.0 mt -77.88 152.31 79.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.624 0.726 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.5 Cg_endo -69.75 139.7 40.88 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.686 2.258 . . . . 0.0 112.312 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 65' ' ' PRO . 35.3 p -34.19 -61.12 0.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 66' ' ' SER . 8.4 tt0 -35.04 -52.14 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -56.79 -61.77 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.456 HG21 ' CD1' ' A' ' 21' ' ' LEU . 98.5 t -49.5 -38.2 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.477 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 43.7 tt0 -64.02 -31.52 72.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.81 -32.93 63.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.1 mt -72.51 -37.07 68.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.9 mt -66.13 -49.23 68.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -61.39 -23.82 66.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.01 -16.91 62.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.413 ' HB ' ' NH1' ' A' ' 78' ' ' ARG . 73.0 p -76.79 -24.1 52.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.847 0.356 . . . . 0.0 111.193 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.92 -36.77 3.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.413 ' NH1' ' HB ' ' A' ' 76' ' ' THR . 6.6 ptt-85 -80.9 172.04 14.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.854 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -86.37 148.83 25.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.16 117.86 9.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.8 t -119.45 145.65 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.519 HD12 ' CZ ' ' A' ' 23' ' ' PHE . 10.8 tp -82.75 137.51 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -115.12 -43.41 3.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -163.55 143.33 8.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 10.3 ptm -135.76 139.04 43.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.847 0.356 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 42.31 42.73 4.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -158.6 154.08 25.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -165.72 102.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -109.95 127.03 54.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.6 tp -152.85 135.86 15.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 92' ' ' ASN . 36.2 tp60 -168.56 149.64 4.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.428 ' N ' ' HG3' ' A' ' 91' ' ' GLN . 4.2 m120 -141.74 155.12 45.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.2 p -164.44 149.32 9.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 168.72 84.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -178.36 2.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.379 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.1 t -160.58 143.2 13.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 85.2 p -108.77 175.37 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.9 p -152.7 156.18 38.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.6 p -169.73 176.93 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.6 164.31 32.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -157.21 174.42 15.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 110.812 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -168.07 172.57 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.832 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.1 87.43 0.16 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.4 ptp -127.08 137.15 52.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.772 0.32 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.07 146.54 27.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.2 p -101.28 -54.81 2.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -153.14 155.05 36.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.3 p -156.33 168.5 27.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.82 132.11 2.46 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -136.79 136.08 38.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.798 0.332 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -86.43 172.35 10.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.74 103.93 1.73 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 t -133.89 117.38 16.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.813 0.339 . . . . 0.0 111.129 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 tt -82.36 118.78 23.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.9 m -134.22 160.26 38.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.8 m -93.62 129.61 39.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.446 HD21 ' CB ' ' A' ' 85' ' ' MET . 2.1 mt -119.31 111.29 18.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 28.3 mt-10 -88.27 127.4 35.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.552 ' CE1' HD13 ' A' ' 82' ' ' LEU . 70.9 m-85 -132.35 128.84 38.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.25 94.57 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.472 ' CG1' ' HD2' ' A' ' 78' ' ' ARG . 54.3 t -98.45 148.81 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -79.15 134.68 36.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 29.9 mtm -148.07 122.29 9.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.2 -34.82 10.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' GLN . 83.6 m -153.23 177.29 11.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.468 ' O ' ' C ' ' A' ' 31' ' ' SER . 38.5 tp60 -37.93 -56.8 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 30' ' ' GLN . 11.9 t -32.71 -70.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.9 m -37.9 -46.39 0.95 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.454 HG11 ' CG1' ' A' ' 51' ' ' VAL . 99.7 t -65.27 -42.25 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 31' ' ' SER . 87.8 m-20 -53.0 -50.7 63.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.3 -48.71 80.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.423 ' HA ' ' NH2' ' A' ' 78' ' ' ARG . 96.5 t -51.99 -50.54 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 41' ' ' GLN . 46.3 mtp180 -63.21 -58.63 6.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -51.27 -37.13 45.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 p -58.71 -34.46 71.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.439 ' CD1' HG22 ' A' ' 60' ' ' VAL . 6.5 mt -125.9 24.6 7.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 37' ' ' ARG . 5.1 tt0 -80.83 116.85 21.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.53 42.12 7.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 44' ' ' ALA . 78.0 t -96.12 133.95 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.52 124.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.76 -55.23 1.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.8 126.09 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.741 0.305 . . . . 0.0 111.194 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.469 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -100.53 -34.95 9.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.469 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 2.8 t70 -153.23 162.11 41.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 p -156.99 111.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -99.33 134.13 42.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.454 ' CG1' HG11 ' A' ' 33' ' ' VAL . 62.0 t -116.91 111.82 36.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -103.89 108.35 19.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.3 tp -76.81 -33.49 57.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -52.22 -44.55 64.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.54 23.91 12.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 38.82 42.85 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.434 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 62.3 mmm -102.3 162.54 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.943 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' PHE . 62.8 t -148.3 105.15 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.444 ' C ' HG23 ' A' ' 60' ' ' VAL . 3.7 mp -88.24 151.32 22.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.444 HG23 ' C ' ' A' ' 59' ' ' LEU . 71.6 t -141.47 105.28 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -86.24 90.8 8.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.4 t -138.88 163.53 32.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.6 p -91.26 9.61 30.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.7 mt -98.72 152.53 37.9 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.606 0.717 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.0 Cg_endo -69.68 145.23 56.95 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.715 2.276 . . . . 0.0 112.347 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' GLN . 67.0 m -36.33 -65.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' SER . 13.9 pt20 -34.53 -43.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -62.0 -53.59 53.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 70' ' ' GLN . 93.0 t -66.36 -56.53 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 69' ' ' VAL . 58.3 tt0 -36.93 -52.68 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.9 -47.15 81.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.068 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 47.7 mt -54.77 -37.59 66.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.0 mt -67.1 -51.08 58.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -56.62 -23.02 38.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.51 -25.61 55.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.51 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 71.5 p -72.43 -17.65 61.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 111.093 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.7 -31.87 5.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.472 ' HD2' ' CG1' ' A' ' 25' ' ' VAL . 4.9 ptt85 -80.79 172.8 13.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.745 0.307 . . . . 0.0 110.866 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -107.69 132.18 53.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -104.25 132.18 50.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.5 t -113.04 105.88 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.552 HD13 ' CE1' ' A' ' 23' ' ' PHE . 29.3 tp -58.99 139.75 56.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -114.48 -43.0 3.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 170.73 133.7 1.65 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.446 ' CB ' HD21 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -118.07 159.68 22.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.368 . . . . 0.0 110.869 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -76.24 129.72 10.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.539 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.7 t -80.05 137.39 36.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.922 0.391 . . . . 0.0 110.874 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.63 106.54 3.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.551 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -54.53 137.5 42.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.926 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.34 129.9 35.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -80.31 45.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -71.15 146.71 48.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t -132.23 101.24 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -84.88 -78.72 1.14 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.521 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -3.2 11.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.313 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.4 t -129.0 173.09 10.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.0 m -117.89 -46.22 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.46 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -167.39 140.4 3.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -170.84 167.78 7.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.76 155.95 10.09 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.2 p -172.81 133.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.829 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -165.17 128.46 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.77 122.48 0.63 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.0 ttm -167.9 140.69 3.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.98 176.0 13.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.4 p -165.9 166.96 17.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -162.28 146.81 12.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.7 t -168.96 123.92 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.07 132.27 1.55 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -118.11 142.96 46.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.752 0.311 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -144.56 114.79 7.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -169.73 170.71 42.93 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -166.95 129.12 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.419 HD11 ' C ' ' A' ' 62' ' ' THR . 18.1 tp -76.16 122.13 23.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 81.7 m -131.98 160.56 35.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.1 m -96.36 126.21 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mt -116.18 132.66 56.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -102.67 127.73 49.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 58' ' ' VAL . 63.6 m-85 -134.12 128.62 34.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.24 97.32 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.5 t -100.06 136.36 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -70.08 132.2 45.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 30.9 mtm -151.04 120.74 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 t -105.34 -32.79 8.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.5 p -131.39 -175.82 3.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 33' ' ' VAL . 44.3 tp60 -62.93 -53.56 52.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 30' ' ' GLN . 14.2 t -34.56 -59.22 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 65.6 m -46.24 -41.62 13.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 30' ' ' GLN . 60.4 t -73.53 -37.21 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -60.07 -28.19 67.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' SER . . . -77.67 -48.84 15.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 72.9 t -50.3 -47.89 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.413 ' NH1' ' HB3' ' A' ' 37' ' ' ARG . 14.6 mtp-105 -71.03 -50.31 35.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 38' ' ' LYS . 1.3 tmtp? -63.44 -19.69 64.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 35' ' ' ALA . 19.3 t -73.12 -36.84 66.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 mt -123.67 25.03 8.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.455 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.5 tt0 -53.84 106.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 41' ' ' GLN . . . 33.66 36.02 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' GLN . 75.3 t -75.37 145.81 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.123 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.91 139.42 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.54 -49.05 4.16 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.6 t -71.07 135.99 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.336 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -111.33 -30.08 7.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.421 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 4.8 t70 -155.68 156.54 35.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.3 t -153.24 114.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -103.8 149.28 25.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.5 t -136.37 124.28 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -116.97 106.03 12.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.5 tp -74.75 -21.98 59.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -66.69 -48.33 69.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.87 16.16 24.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 46.59 39.14 6.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 69.6 mmm -101.54 163.27 12.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 23' ' ' PHE . 42.5 t -155.53 107.7 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.3 mp -91.41 162.03 14.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.7 t -152.71 107.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.401 ' C ' HD12 ' A' ' 18' ' ' LEU . 9.9 m-70 -87.49 92.58 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.419 ' C ' HD11 ' A' ' 18' ' ' LEU . 10.1 t -139.45 163.45 32.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.6 p -85.51 -6.86 59.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.7 mt -79.99 152.38 74.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.587 0.708 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.2 Cg_endo -69.72 137.16 34.91 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' PRO . 78.6 p -34.48 -62.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' SER . 55.1 mm-40 -37.07 -47.96 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -59.11 -59.84 4.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.6 t -51.36 -48.29 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -44.09 -48.45 8.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.97 -41.03 86.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.3 mt -64.25 -31.52 72.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.8 mt -79.03 -23.86 44.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.961 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -79.3 -28.74 42.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.82 -17.89 63.45 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.481 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.2 p -75.41 -14.09 60.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.82 0.343 . . . . 0.0 111.103 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.28 -35.75 4.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.454 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.712 ' HE ' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -84.89 168.38 15.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.765 0.317 . . . . 0.0 110.894 -179.854 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -104.5 121.17 42.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -98.15 119.07 36.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.5 t -103.88 117.16 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.9 tp -58.12 118.63 5.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -103.57 3.29 34.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 158.11 127.98 0.98 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 15.4 mtp -74.4 -60.06 2.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.7 81.65 0.31 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.6 t -59.06 113.02 1.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.389 . . . . 0.0 110.868 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.02 89.6 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -160.77 119.66 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.4 tp -146.54 117.79 7.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -116.36 170.84 8.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -159.5 106.98 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 95.9 p -82.07 176.87 9.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 148.81 83.1 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.414 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 151.23 68.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 m -164.78 167.28 19.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.9 m -96.96 171.98 8.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t 40.01 42.11 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 110.836 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -47.0 -54.22 10.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.77 163.12 2.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -159.9 173.01 16.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.863 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m -123.8 171.92 9.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.94 156.73 19.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.4 mtt -105.59 166.18 10.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.329 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -173.34 123.8 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.097 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.9 t -141.74 138.25 32.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.784 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -137.56 170.49 15.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.811 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.5 p -116.73 141.66 47.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.76 -176.5 5.16 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.5 p30 -115.82 112.67 22.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -72.82 120.04 17.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -159.49 79.48 0.17 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 t -137.66 123.68 20.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.814 0.34 . . . . 0.0 111.159 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.461 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 1.3 tt -92.47 117.93 30.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -125.88 162.88 24.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.3 m -100.21 99.95 10.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 mt -77.86 119.69 21.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -93.48 115.07 27.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.541 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 76.8 m-85 -118.49 165.4 13.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . -121.53 101.85 7.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.1 t -107.74 142.84 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.492 ' O ' ' CZ ' ' A' ' 78' ' ' ARG . 10.5 tt0 -88.05 110.89 20.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.411 ' HE1' ' CG2' ' A' ' 58' ' ' VAL . 24.6 mtm -112.62 161.34 16.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.5 p -113.84 -62.09 1.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.4 m -133.14 -174.98 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 31' ' ' SER . 35.3 tp60 -43.68 -56.38 3.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 30' ' ' GLN . 4.1 t -34.21 -70.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' SER . 2.7 m -36.33 -38.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.468 HG13 ' NE ' ' A' ' 37' ' ' ARG . 22.0 t -68.32 -48.23 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' SER . 3.1 m-20 -54.63 -38.31 66.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.71 -57.79 6.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.443 ' CG1' HG11 ' A' ' 58' ' ' VAL . 76.7 t -49.11 -40.67 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.155 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 41' ' ' GLN . 87.0 mtm180 -69.64 -58.27 4.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -51.24 -37.36 46.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 p -58.97 -31.54 68.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mt -128.27 23.82 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 37' ' ' ARG . 5.5 tt0 -81.96 113.42 19.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 52.02 37.55 45.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.412 ' O ' ' C ' ' A' ' 44' ' ' ALA . 93.6 t -90.42 143.95 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.373 . . . . 0.0 111.094 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -36.35 137.47 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.056 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.28 -43.21 2.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 47' ' ' GLN . 93.8 t -68.54 137.8 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 111.149 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.461 ' OE1' ' CD1' ' A' ' 18' ' ' LEU . 6.2 pt20 -114.93 -29.32 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -159.15 156.94 29.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -147.57 113.73 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -104.99 112.24 25.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.408 ' CG1' HG11 ' A' ' 33' ' ' VAL . 11.8 p -107.32 113.76 44.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -105.4 117.17 33.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.0 tp -84.59 -26.88 27.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -62.34 -44.9 95.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 56' ' ' GLN . 4.5 m-20 -107.16 24.38 12.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 55' ' ' ASP . 6.9 mm-40 36.21 38.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 23' ' ' PHE . 54.7 mmm -110.27 152.15 26.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.443 HG11 ' CG1' ' A' ' 36' ' ' VAL . 55.6 t -142.18 114.35 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.612 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -103.73 147.01 27.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.957 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.0 t -133.71 110.18 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -86.98 98.82 11.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.402 HG22 ' CG2' ' A' ' 69' ' ' VAL . 8.8 t -145.1 163.11 35.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.7 p -88.35 -0.3 57.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.9 mt -86.29 152.31 55.14 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.554 0.693 . . . . 0.0 110.942 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.1 Cg_endo -69.69 143.57 51.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.355 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' PRO . 40.2 p -34.54 -66.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 66' ' ' SER . 14.1 pt20 -34.71 -41.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 65' ' ' PRO . 10.5 tt0 -64.17 -55.28 22.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 70' ' ' GLN . 82.4 t -65.28 -55.09 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 69' ' ' VAL . 39.5 tt0 -36.39 -52.56 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.95 -49.19 78.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.2 mt -54.49 -29.59 50.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.4 mt -75.11 -45.32 41.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -61.21 -26.12 67.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.06 -24.39 42.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 62.1 p -69.2 -15.36 63.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 0.0 111.079 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.5 -19.52 28.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 26' ' ' GLN . 16.4 mtt-85 -96.82 172.57 7.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -103.49 140.8 37.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -118.2 122.36 42.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 24' ' ' ALA . 50.6 t -103.78 111.91 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.175 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.541 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 20.3 tp -67.95 117.88 10.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -84.68 -57.12 3.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.85 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -165.85 131.57 2.42 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -119.61 144.41 47.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.05 56.71 3.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 79.5 p -90.06 166.92 13.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.359 . . . . 0.0 110.935 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.88 -125.34 7.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 43.95 40.07 3.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 110.913 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.7 mt -94.6 102.28 14.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -119.36 142.95 47.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -100.27 157.78 16.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.3 p -114.84 5.47 15.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 38.23 -157.8 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.537 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -21.68 33.29 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.35 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.0 m 49.48 44.8 24.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.8 t -75.38 123.98 26.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m 64.1 42.23 5.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 110.896 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 m -138.79 130.48 27.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.833 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.12 164.61 25.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.455 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t -167.45 168.29 13.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -153.77 121.85 6.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.36 123.73 1.88 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.3 mtt -132.33 149.92 52.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.753 0.311 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -149.52 160.89 43.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.8 m -132.89 115.41 15.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -129.61 100.56 5.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.9 p -158.44 160.99 37.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 165.77 108.52 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.447 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -110.55 125.47 53.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.337 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -49.74 149.19 2.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.43 136.19 17.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.439 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 t -156.31 143.08 18.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 111.114 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.499 ' CD2' ' OE1' ' A' ' 47' ' ' GLN . 1.5 tt -108.82 124.99 51.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.9 m -134.62 154.88 51.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.0 m -106.32 114.58 28.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.097 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 mt -95.8 147.32 23.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.465 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 9.9 mt-10 -121.27 103.86 9.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -108.86 126.75 53.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.57 102.5 14.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.7 t -98.96 145.28 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -87.66 102.92 15.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.456 ' HE3' ' CG2' ' A' ' 58' ' ' VAL . 20.4 mtm -108.2 155.83 20.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.6 p -119.59 -44.92 2.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.167 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.3 p -139.89 179.64 6.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 31' ' ' SER . 8.8 tp-100 -48.88 -52.03 26.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' ASP . 27.9 t -34.43 -67.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.802 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.422 ' HA ' ' NH2' ' A' ' 78' ' ' ARG . 1.8 m -37.52 -45.8 0.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.7 t -63.07 -40.67 89.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 31' ' ' SER . 8.8 t0 -54.54 -52.71 61.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.19 -62.5 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.8 t -39.32 -49.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' GLN . 64.5 mtp180 -59.95 -54.79 41.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -53.17 -50.34 64.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.9 t -48.17 -26.09 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.845 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 mt -132.32 24.4 4.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 37' ' ' ARG . 52.4 tp60 -81.17 106.92 13.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.98 40.64 7.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.459 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.432 HG13 ' N ' ' A' ' 44' ' ' ALA . 98.1 t -89.0 150.16 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.432 ' N ' HG13 ' A' ' 43' ' ' VAL . . . -41.6 133.82 2.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.484 ' O ' ' NE2' ' A' ' 47' ' ' GLN . . . 88.74 -49.01 3.58 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 47' ' ' GLN . 89.8 t -70.68 140.14 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 111.105 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.637 HE21 ' N ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -114.23 -29.05 7.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -158.54 156.31 29.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 70.0 t -150.15 125.11 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -113.52 131.03 56.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.5 t -116.33 127.16 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -124.36 103.07 8.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.4 tp -75.87 -30.83 59.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -53.94 -42.44 68.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.7 24.32 11.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 40.59 40.76 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 70.6 mmm -107.77 151.11 26.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.456 ' CG2' ' HE3' ' A' ' 27' ' ' MET . 55.1 t -143.4 106.53 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.18 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.3 mp -89.78 160.81 16.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.954 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.1 t -152.77 105.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -82.45 101.28 10.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.474 ' HA ' ' NE2' ' A' ' 47' ' ' GLN . 5.9 t -144.13 153.99 42.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.8 p -83.58 8.79 13.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.3 mt -98.68 152.97 38.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.599 0.714 . . . . 0.0 110.966 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.1 Cg_endo -69.75 143.09 49.78 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 65' ' ' PRO . 0.4 OUTLIER -33.77 -62.54 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.484 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 9.8 pt20 -34.7 -48.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.484 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 6.0 tp10 -59.04 -62.82 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 96.7 t -49.16 -47.99 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -44.26 -44.24 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.55 99.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.5 -39.31 93.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.0 mt -71.53 -51.87 21.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -53.3 -22.04 6.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.41 -16.53 58.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.2 p -84.88 10.51 11.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.4 -29.57 3.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.422 ' NH2' ' HA ' ' A' ' 32' ' ' CYS . 28.3 mtt180 -83.7 164.17 19.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 0.0 110.871 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -99.31 145.28 27.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.63 120.38 33.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.138 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.2 t -97.95 112.05 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.176 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.8 tp -63.71 126.75 28.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -105.65 -46.97 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -144.31 120.06 1.38 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.49 -45.34 9.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.353 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -158.38 55.77 0.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -144.9 128.0 16.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.952 0.406 . . . . 0.0 110.852 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 144.74 104.6 0.46 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -79.8 140.1 36.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.8 mt -101.33 41.41 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -87.9 144.16 26.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -93.2 140.51 29.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.0 m -135.54 153.9 51.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -113.17 -94.77 2.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 158.99 55.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.718 2.279 . . . . 0.0 112.343 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.2 t -86.46 139.84 30.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.4 m -161.98 169.74 20.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.438 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.1 m 50.57 41.63 25.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.379 . . . . 0.0 110.847 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 t -111.14 -48.77 3.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.87 -150.96 1.8 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.0 m -86.46 146.63 26.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.357 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.5 p -97.36 -45.57 6.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.75 80.36 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.1 mtm -125.35 114.65 19.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.328 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.75 124.74 52.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.3 t -119.41 108.58 14.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -111.5 147.06 36.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.82 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.0 p -142.17 166.23 25.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.71 128.21 1.04 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.52 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -139.24 144.38 38.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.726 0.298 . . . . 0.0 110.925 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 pm0 -69.26 -26.44 64.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.27 88.77 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.2 m -112.1 113.28 25.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.815 0.341 . . . . 0.0 111.161 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.4 tp -80.46 112.99 18.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 66.6 m -132.81 149.8 52.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.9 m -86.68 101.26 13.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.438 ' CD1' ' CG2' ' A' ' 69' ' ' VAL . 4.2 mt -82.18 120.94 25.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -93.4 128.74 39.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.48 ' CZ ' HD13 ' A' ' 82' ' ' LEU . 59.8 m-85 -131.96 151.69 51.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.35 95.9 6.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.7 t -104.87 135.65 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -77.69 136.45 38.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.9 mtm -147.79 140.46 24.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.3 t -130.1 -40.71 1.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.5 p -121.15 162.44 20.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 31' ' ' SER . 44.0 tp60 -49.02 -55.8 10.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 30' ' ' GLN . 68.4 m -34.28 -57.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.6 m -46.57 -46.96 19.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.426 ' CG1' HG13 ' A' ' 51' ' ' VAL . 76.4 t -68.91 -46.16 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -50.64 -54.06 25.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.59 -63.77 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 72.6 t -40.55 -55.01 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' GLN . 50.0 mtp180 -54.79 -53.07 60.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -53.44 -51.52 62.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.9 p -50.97 -23.18 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 mt -131.67 25.12 4.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 37' ' ' ARG . 35.8 tp60 -81.93 108.81 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 43.08 40.52 4.35 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.0 t -88.99 147.6 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.39 143.43 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.07 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.86 -44.51 2.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.6 t -76.66 131.27 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -102.12 -32.81 9.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.436 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 21.5 m-20 -157.05 163.81 38.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.8 t -155.38 135.15 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -120.09 146.18 46.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.464 HG22 ' CG ' ' A' ' 37' ' ' ARG . 67.2 t -132.44 131.66 60.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -124.96 113.68 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.6 tp -76.41 -55.54 5.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -58.34 -37.07 74.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -91.92 -13.13 31.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 55.53 42.86 29.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.5 mmm -118.83 163.92 16.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.2 t -154.99 106.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.62 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -94.18 148.02 22.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.946 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -134.7 104.43 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -80.51 88.94 5.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 t -137.91 157.57 46.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.2 p -81.91 2.45 30.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.3 mt -86.72 152.17 53.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.671 0.748 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.6 Cg_endo -69.72 140.73 43.52 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 65' ' ' PRO . 13.9 t -34.0 -63.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' SER . 17.8 pt20 -35.14 -53.22 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -55.96 -61.25 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.438 ' CG2' ' CD1' ' A' ' 21' ' ' LEU . 71.6 t -49.16 -40.41 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -60.38 -31.16 70.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.18 -37.38 66.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.02 -40.53 87.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 35.7 mt -64.87 -53.64 43.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 77' ' ' GLY . 26.2 mt-10 -50.62 -35.24 29.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -44.89 -24.85 0.82 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.483 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 66.7 p -93.24 26.13 3.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 111.145 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . 56.03 15.93 11.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.401 ' HA ' ' NE ' ' A' ' 78' ' ' ARG . 5.8 mmp_? -91.64 169.56 10.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -110.27 97.77 7.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.96 113.95 25.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.072 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.4 t -112.74 104.57 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.48 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 13.5 tp -53.94 125.07 17.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -96.79 -46.5 6.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -179.75 81.63 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.8 ptm -49.95 101.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.343 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 59.69 86.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.2 p -116.21 121.03 40.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.941 0.401 . . . . 0.0 110.864 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.38 -65.72 3.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 45.42 53.66 8.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.954 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.9 mp -81.7 150.39 28.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -119.53 150.64 39.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -116.86 118.84 33.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 76.5 p -142.26 138.67 31.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 128.76 71.65 0.14 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 128.92 16.69 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.708 2.272 . . . . 0.0 112.301 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 99.8 p -45.89 104.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.2 t -109.49 -58.3 2.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.528 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -149.4 168.54 23.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.88 0.372 . . . . 0.0 110.863 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -54.16 -52.27 61.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.41 -175.97 15.93 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 m 52.49 48.5 22.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.368 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.4 p -117.53 172.29 7.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 8' ' ' MET . . . -101.53 -107.58 3.05 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.453 ' C ' ' O ' ' A' ' 7' ' ' GLY . 4.4 ptm 33.32 46.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.852 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.13 120.18 5.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t 57.74 43.3 22.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.805 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -87.85 40.7 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.8 m -126.81 169.55 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.14 131.08 3.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' GLN . 13.0 m-20 -105.01 90.32 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.771 0.319 . . . . 0.0 110.913 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' ASN . 2.3 pm0 -35.66 -37.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.76 119.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.52 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.7 m -104.9 107.97 19.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.346 . . . . 0.0 111.142 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' N ' HG23 ' A' ' 63' ' ' THR . 66.2 tp -68.12 123.36 20.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -133.73 162.82 30.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.2 m -99.55 128.8 45.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.6 mt -117.48 122.35 43.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.468 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 26.2 mt-10 -104.0 119.35 38.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.567 ' CE1' HD12 ' A' ' 82' ' ' LEU . 66.4 m-85 -123.34 132.99 54.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.61 95.76 9.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.4 t -103.84 148.32 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -80.32 135.9 36.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 33.7 mtm -152.33 125.1 8.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 t -108.67 -43.85 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.6 t -125.11 151.75 45.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 31' ' ' SER . 7.4 tp60 -37.75 -41.26 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 30' ' ' GLN . 5.0 m -34.42 -51.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 85.2 m -56.43 -54.5 44.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.7 t -51.67 -39.21 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.95 -45.54 91.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.82 -41.66 78.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 88.6 t -62.47 -47.67 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 41' ' ' GLN . 45.2 mtp180 -65.85 -47.58 74.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -61.78 -41.88 98.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.6 p -56.03 -26.68 50.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mt -130.74 22.87 5.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 37' ' ' ARG . 32.2 tp60 -77.04 115.6 16.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' GLN . . . 38.44 45.89 1.94 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 44' ' ' ALA . 78.5 t -96.89 147.17 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -33.96 130.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.71 -55.67 5.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.541 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.8 t -62.46 127.3 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 111.071 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -100.07 -33.21 10.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 1.5 t70 -160.39 158.84 30.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.3 t -150.96 112.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -99.51 140.5 33.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.0 t -122.29 131.96 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -123.6 98.31 5.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.2 tp -68.02 -26.9 66.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -59.16 -43.06 92.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -114.75 22.09 13.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 38.98 44.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 78.5 mmm -106.0 158.32 16.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 23' ' ' PHE . 55.0 t -139.94 109.78 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.421 ' C ' HG22 ' A' ' 60' ' ' VAL . 1.9 mp -92.69 147.51 22.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.421 HG22 ' C ' ' A' ' 59' ' ' LEU . 50.0 t -140.41 105.15 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -86.38 88.74 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.7 t -138.57 159.99 40.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 18' ' ' LEU . 57.2 p -88.0 2.72 51.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.0 mt -87.76 152.19 51.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.645 0.736 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.0 Cg_endo -69.71 137.54 35.86 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' PRO . 57.0 p -35.6 -65.58 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 66' ' ' SER . 13.2 pt20 -34.47 -41.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 9.1 tt0 -66.73 -54.11 26.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.457 ' O ' ' C ' ' A' ' 70' ' ' GLN . 86.7 t -61.28 -53.03 54.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 69' ' ' VAL . 47.9 tt0 -33.49 -52.83 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.32 -46.2 86.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 69' ' ' VAL . 95.4 mt -51.9 -42.32 62.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mt -68.5 -41.02 80.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -61.05 -30.85 70.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.24 -27.73 53.14 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.401 ' HB ' ' NH2' ' A' ' 78' ' ' ARG . 68.6 p -69.32 -22.39 63.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 111.183 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.22 -32.58 5.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.401 ' NH2' ' HB ' ' A' ' 76' ' ' THR . 23.4 mtm-85 -80.81 165.91 21.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -103.59 121.59 43.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.83 110.98 23.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.1 t -101.18 105.79 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.567 HD12 ' CE1' ' A' ' 23' ' ' PHE . 24.2 tp -50.24 134.39 22.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -117.52 -51.48 2.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -138.67 88.33 0.2 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.426 ' SD ' ' C ' ' A' ' 85' ' ' MET . 1.3 tmt? -66.12 -39.7 90.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -153.29 122.09 1.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.1 p -82.42 171.54 14.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.381 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 146.62 72.81 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.538 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -144.04 128.62 18.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.853 0.358 . . . . 0.0 110.948 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 40.3 mt -59.91 169.84 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -96.43 166.37 11.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -174.49 148.56 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.8 t -113.16 105.45 13.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -118.57 160.5 13.95 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 99.52 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.0 m -71.63 177.13 4.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.0 p -121.59 165.69 15.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.488 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -92.11 137.93 31.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -100.93 -44.03 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.21 172.2 13.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.521 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.1 p -166.16 164.56 17.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.93 0.395 . . . . 0.0 110.877 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.8 p -148.88 162.57 39.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.62 -161.4 9.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.14 171.97 17.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.75 0.31 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -151.64 157.55 42.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.063 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.0 t -152.61 143.17 22.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -158.88 144.4 16.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.1 t -130.6 136.99 49.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.9 108.13 2.68 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.476 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -53.05 129.3 30.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -171.46 132.68 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.1 152.31 6.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.446 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.7 t -151.72 136.06 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 0.0 111.164 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.438 ' CD2' ' HG2' ' A' ' 47' ' ' GLN . 11.9 tp -58.07 122.63 13.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.4 m -131.47 138.0 48.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.459 ' CG2' HD12 ' A' ' 59' ' ' LEU . 59.9 m -84.7 125.49 32.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.521 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -111.11 112.38 24.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 5.7 mt-10 -79.78 104.81 10.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.532 ' CE1' ' HG ' ' A' ' 82' ' ' LEU . 59.9 m-85 -112.7 115.32 28.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.46 97.18 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.8 t -97.37 131.14 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -79.48 107.38 12.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 8.8 mtm -100.42 165.84 11.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.0 p -133.4 -39.45 0.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.1 p -152.64 176.05 12.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 31' ' ' SER . 46.0 tp60 -43.67 -56.07 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 34' ' ' ASP . 6.8 t -34.25 -66.69 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.9 m -38.55 -48.79 1.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.428 HG13 ' CG1' ' A' ' 51' ' ' VAL . 79.3 t -59.71 -37.06 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 31' ' ' SER . 7.4 t0 -64.07 -45.56 88.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.01 -34.64 78.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.418 HG22 ' NH1' ' A' ' 78' ' ' ARG . 55.7 t -64.68 -45.86 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 41' ' ' GLN . 66.3 mtp85 -71.16 -46.94 60.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -62.61 -45.7 91.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.3 p -55.3 -19.77 9.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 mt -134.44 23.81 3.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 37' ' ' ARG . 54.4 tp60 -85.98 114.75 23.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 50.41 46.74 44.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.5 t -98.92 141.66 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.867 0.365 . . . . 0.0 111.082 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -43.37 130.8 4.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.46 -50.83 2.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 83.7 t -71.2 147.24 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.125 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.438 ' HG2' ' CD2' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -116.7 -31.57 5.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 15.5 t0 -153.72 165.13 36.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.3 p -156.89 112.02 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -103.17 121.35 42.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.428 ' CG1' HG13 ' A' ' 33' ' ' VAL . 11.6 p -105.74 107.62 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -101.03 99.48 9.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.3 tp -72.72 -33.0 66.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -54.94 -59.27 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.2 22.1 6.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 39.07 46.81 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.459 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 69.4 mmm -119.97 156.76 30.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.405 HG12 ' CG1' ' A' ' 36' ' ' VAL . 54.5 t -143.77 115.19 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.459 HD12 ' CG2' ' A' ' 20' ' ' THR . 3.4 mt -101.1 135.12 43.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.9 t -124.16 104.05 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -79.23 89.12 4.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.5 t -136.88 157.57 46.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 60.4 p -79.94 -13.88 59.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.1 mt -76.79 152.15 82.7 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.589 0.709 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.82 51.91 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.312 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 68' ' ' GLU . 2.9 m -40.27 -63.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 66' ' ' SER . 18.0 pt20 -34.6 -34.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 66' ' ' SER . 3.4 tp10 -73.3 -60.25 2.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 76.6 t -53.79 -37.91 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -51.2 -32.65 24.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.45 -39.71 45.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.9 mt -66.67 -28.97 68.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.6 mt -75.17 -48.52 23.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 77' ' ' GLY . 26.1 mt-10 -54.29 -30.89 52.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -42.07 -24.73 0.2 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 74' ' ' GLU . 63.4 p -86.17 24.41 1.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.806 0.336 . . . . 0.0 111.147 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . 57.19 35.32 69.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.418 ' NH1' HG22 ' A' ' 36' ' ' VAL . 31.2 mtp180 -131.81 171.33 13.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.885 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -104.81 135.43 46.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -121.02 111.39 17.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.12 118.75 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.178 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.532 ' HG ' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -76.4 121.2 22.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -98.64 -30.51 12.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 176.46 145.65 5.71 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.436 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.5 mtm -87.42 53.82 2.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 60.85 73.54 0.48 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.4 m -162.04 146.73 12.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.922 0.391 . . . . 0.0 110.826 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.65 -86.5 1.35 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.538 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 38.9 tp60 50.0 41.08 22.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 0.0 110.973 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.6 tt -85.77 151.7 23.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -141.38 172.95 11.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -135.19 128.23 31.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.6 t -169.89 130.53 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 132.35 74.08 0.1 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 102.07 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.324 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.0 m -102.41 123.63 46.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -156.61 152.69 27.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.477 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.7 p 47.56 42.12 14.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.801 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.1 m -120.49 161.4 21.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.97 168.01 38.01 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -131.86 166.45 21.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.38 . . . . 0.0 110.844 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -157.72 176.8 12.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.853 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.66 137.37 2.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.45 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.5 mtp -141.07 148.52 40.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.44 163.18 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -147.02 163.66 35.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' SER . 39.0 m-20 -125.82 -42.61 1.9 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' ASP . 58.4 m 35.84 38.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -154.49 139.13 6.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -141.86 128.26 20.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.808 0.337 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -123.28 116.03 22.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.85 139.21 10.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.497 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 t -151.26 127.0 10.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.342 . . . . 0.0 111.124 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.454 ' CD2' ' HG2' ' A' ' 47' ' ' GLN . 14.2 tp -68.81 128.09 35.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.0 p -128.69 154.14 46.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.0 m -102.99 125.92 49.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 mt -116.15 119.05 34.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 21.2 mt-10 -101.18 103.59 14.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.547 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 79.0 m-85 -105.12 137.03 43.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.77 97.87 11.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.456 ' CG2' HG22 ' A' ' 58' ' ' VAL . 48.0 t -98.61 147.33 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -90.77 118.42 30.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.1 mtm -132.33 138.29 47.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.3 p -107.81 -60.56 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.171 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.529 ' HG ' ' N ' ' A' ' 30' ' ' GLN . 2.6 t -107.01 149.26 27.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.529 ' N ' ' HG ' ' A' ' 29' ' ' CYS . 22.5 tp60 -33.65 -41.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 34' ' ' ASP . 18.0 p -34.38 -69.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' SER . 74.1 m -36.52 -46.53 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.402 ' CG2' ' HB2' ' A' ' 53' ' ' LEU . 67.6 t -61.72 -40.76 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' SER . 7.1 m-20 -59.67 -41.72 91.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.74 -54.77 9.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.7 t -41.47 -44.88 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' GLN . 59.7 mtm180 -67.41 -54.46 20.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -54.77 -31.26 58.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.7 t -60.8 -35.67 77.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mt -126.73 20.57 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 37' ' ' ARG . 14.6 tt0 -71.23 110.05 5.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 45.05 44.77 9.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' ALA . 79.4 t -96.28 143.89 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.862 0.363 . . . . 0.0 111.091 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -36.35 141.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.02 -52.63 4.27 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.3 t -64.85 137.02 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.454 ' HG2' ' CD2' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -109.03 -33.22 6.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.449 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 8.7 t0 -158.5 154.29 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.427 HG21 ' C ' ' A' ' 48' ' ' ASP . 76.1 t -147.79 115.86 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -106.98 112.44 25.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.456 HG13 ' CG ' ' A' ' 37' ' ' ARG . 9.3 p -104.5 124.05 58.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -117.55 104.85 11.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.402 ' HB2' ' CG2' ' A' ' 33' ' ' VAL . 4.5 tp -71.6 -29.73 65.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -57.64 -48.58 79.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 56' ' ' GLN . 1.2 m-20 -103.4 25.17 9.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 55' ' ' ASP . 8.1 mm-40 34.45 45.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.454 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 54.9 mmm -114.35 158.01 22.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.456 HG22 ' CG2' ' A' ' 25' ' ' VAL . 48.6 t -140.49 112.59 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.446 ' HG ' ' CG ' ' A' ' 22' ' ' GLU . 3.4 mp -97.13 153.2 18.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.5 t -151.5 104.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -87.7 95.11 9.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.8 t -141.94 159.56 41.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.0 p -79.09 -12.11 60.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.3 mt -74.06 151.92 88.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.658 0.742 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 146.42 60.61 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.723 2.282 . . . . 0.0 112.379 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.3 p -45.98 -34.79 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -62.94 -37.01 85.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -71.68 -50.23 32.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.04 -46.25 96.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -41.76 -54.87 3.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.24 97.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.1 mt -56.58 -29.73 62.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.3 mt -79.68 -51.37 9.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -52.39 -22.14 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.25 -7.75 20.36 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.5 p -91.11 -3.23 57.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 0.0 111.18 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.21 -48.95 0.88 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.455 ' CD ' ' CG1' ' A' ' 25' ' ' VAL . 6.7 ptp85 -80.77 172.56 13.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 110.844 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.409 ' HG2' ' N ' ' A' ' 80' ' ' ALA . 66.0 tt0 -102.81 164.67 11.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.409 ' N ' ' HG2' ' A' ' 79' ' ' GLN . . . -133.01 111.71 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.9 t -96.42 104.83 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.547 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 9.5 tp -55.44 133.66 50.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.419 ' HA ' ' NZ ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -115.25 -43.53 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.823 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -140.27 100.77 0.28 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.534 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -92.99 125.52 37.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.349 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.67 -178.18 26.04 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.48 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.5 t -48.62 132.57 17.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.933 0.396 . . . . 0.0 110.823 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.6 125.45 2.22 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -137.9 114.28 10.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.3 tp -80.28 141.0 35.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -161.23 129.6 4.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -105.02 105.88 16.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.8 p -66.32 134.43 52.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.62 84.82 0.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 152.09 69.15 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.1 t -168.21 146.82 4.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.5 p -104.85 169.52 8.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.808 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.455 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -158.79 129.54 6.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 110.833 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 m -110.79 148.68 31.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.17 60.85 4.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -113.29 143.77 43.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.362 . . . . 0.0 110.893 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 t -86.34 164.39 17.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.15 78.61 0.18 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.5 ptm -104.4 165.64 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.318 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.14 133.76 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.083 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.6 t -88.2 154.57 20.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -118.45 121.93 41.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 98.0 p -76.55 137.13 39.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -40.55 151.7 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.454 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -92.99 -59.57 2.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -128.1 115.11 17.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.85 -171.93 46.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.517 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.2 142.66 18.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 111.106 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.459 ' CD2' ' HG2' ' A' ' 47' ' ' GLN . 13.6 tp -71.54 124.02 23.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.8 m -131.34 147.31 52.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.422 ' C ' HD11 ' A' ' 21' ' ' LEU . 25.2 m -94.56 125.78 39.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.465 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -111.43 109.99 20.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.46 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 13.4 mt-10 -78.38 110.58 13.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 21' ' ' LEU . 61.7 m-85 -117.8 114.84 23.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.43 97.52 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.473 ' CG1' ' HD2' ' A' ' 78' ' ' ARG . 91.7 t -97.25 134.86 33.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.402 ' N ' HG11 ' A' ' 25' ' ' VAL . 7.8 tt0 -83.62 105.27 14.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.1 mtm -119.63 150.39 40.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.5 p -121.43 -48.15 2.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' GLN . 1.4 t -124.72 152.33 43.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' VAL . 15.9 tp60 -35.23 -44.07 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' GLN . 12.4 m -34.09 -55.99 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.42 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 7.3 m -56.91 -44.47 82.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.472 HG13 ' CG2' ' A' ' 51' ' ' VAL . 53.4 t -60.66 -43.93 95.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -55.77 -52.0 65.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.64 -38.0 89.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' A' ' 32' ' ' CYS . 98.9 t -59.34 -49.85 81.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' GLN . 55.1 mtt180 -68.42 -51.98 37.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.409 ' HA ' ' CB ' ' A' ' 41' ' ' GLN . 42.9 tttt -55.6 -44.85 77.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.6 p -50.38 -27.56 6.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 mt -129.82 17.61 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 37' ' ' ARG . 22.3 tt0 -79.54 106.75 11.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.36 42.0 98.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 44' ' ' ALA . 78.3 t -101.47 136.79 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.352 . . . . 0.0 111.076 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -35.89 138.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.26 -50.67 4.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.2 t -71.67 138.7 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.756 0.312 . . . . 0.0 111.177 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -109.76 -37.43 5.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.468 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 10.1 m-20 -153.41 156.26 37.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.3 p -150.85 116.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.504 ' OE1' ' CD2' ' A' ' 61' ' ' HIS . 16.3 mp0 -101.75 143.46 31.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.472 ' CG2' HG13 ' A' ' 33' ' ' VAL . 2.8 p -129.19 107.14 14.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -101.96 102.09 12.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.6 tp -71.89 -30.42 65.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -59.27 -47.66 84.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 56' ' ' GLN . 3.6 m-20 -104.92 22.88 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 55' ' ' ASP . 4.3 mm-40 37.26 44.48 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.46 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 47.6 mmm -116.35 157.98 24.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.4 t -148.23 115.8 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.148 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 mt -99.51 145.0 27.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.2 t -132.95 99.16 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.504 ' CD2' ' OE1' ' A' ' 50' ' ' GLU . 7.8 m-70 -74.75 88.92 2.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.458 ' CG2' HG22 ' A' ' 69' ' ' VAL . 5.2 t -136.66 155.04 50.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.7 p -80.72 -9.11 59.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.7 mt -78.6 152.27 77.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.592 0.711 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.7 Cg_endo -69.79 139.83 41.07 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 65' ' ' PRO . 7.8 t -34.1 -64.32 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 66' ' ' SER . 15.5 pt20 -35.36 -46.57 0.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 22.7 tt0 -60.07 -57.53 12.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.458 HG22 ' CG2' ' A' ' 62' ' ' THR . 55.2 t -58.14 -55.55 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 69' ' ' VAL . 48.1 tt0 -34.46 -47.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.11 -46.91 82.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.057 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 69' ' ' VAL . 25.2 mt -54.38 -27.95 39.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.0 mt -79.31 -42.33 25.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.942 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -62.89 -20.52 65.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.49 -27.67 72.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.451 ' OG1' ' CZ ' ' A' ' 78' ' ' ARG . 82.6 p -71.37 -24.74 62.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 111.171 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.24 -39.17 1.94 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.473 ' HD2' ' CG1' ' A' ' 25' ' ' VAL . 5.0 ptt-85 -80.69 172.23 14.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 110.877 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -102.84 153.75 19.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.06 110.13 10.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.7 t -98.18 126.67 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.2 tp -76.18 116.67 17.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -82.53 -55.73 4.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -172.95 138.81 4.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.1 mtt -69.99 77.49 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 104.38 -178.26 24.25 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.5 m -90.22 82.25 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 0.0 110.906 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 53.15 103.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -147.99 139.6 23.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.362 . . . . 0.0 110.912 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.5 tp -104.34 96.35 6.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -95.47 118.05 31.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.419 ' O ' ' CG ' ' A' ' 92' ' ' ASN . 1.1 p-10 -105.72 118.02 35.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 t -117.53 -69.29 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 146.82 152.69 5.7 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 96' ' ' SER . 53.6 Cg_endo -69.75 -5.56 16.49 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.323 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 95' ' ' PRO . 70.7 m -35.72 101.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.7 m -63.39 -39.28 94.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.896 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -109.34 112.6 24.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 110.874 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 t -126.42 151.62 47.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.18 154.2 16.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.9 p -149.76 124.48 9.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.875 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.5 p -122.91 138.77 54.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.83 -84.08 0.97 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.4 mtt 53.78 43.74 30.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.85 81.55 1.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 t -93.85 165.29 12.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -114.86 165.57 12.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 p -162.18 165.82 26.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 103.0 41.61 2.24 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.538 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -97.36 103.94 15.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.42 131.37 48.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -116.56 110.75 2.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.444 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.49 129.2 19.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 111.149 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.469 HD13 ' CG ' ' A' ' 47' ' ' GLN . 1.4 tt -94.86 121.22 36.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.3 m -134.39 154.35 51.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.466 ' CG2' HD13 ' A' ' 59' ' ' LEU . 11.3 m -90.24 106.08 18.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.432 ' CD1' HG21 ' A' ' 69' ' ' VAL . 4.1 mt -82.47 122.18 27.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -93.75 112.03 23.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.468 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 64.8 m-85 -116.81 154.13 31.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.79 96.03 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.9 t -102.64 136.53 34.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -87.17 116.11 25.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 13.7 mtm -117.57 169.58 9.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.8 p -128.78 -53.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.6 p -135.19 -179.06 5.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' VAL . 3.6 tm0? -50.94 -51.89 47.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' GLN . 14.8 m -36.57 -51.08 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.447 ' SG ' ' NH2' ' A' ' 78' ' ' ARG . 13.2 m -55.68 -41.97 74.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 30' ' ' GLN . 78.7 t -63.27 -42.66 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -57.84 -49.6 76.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.52 -60.7 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.063 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.2 t -45.64 -47.25 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 41' ' ' GLN . 60.6 mtt-85 -62.17 -57.6 10.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -51.43 -35.97 41.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.427 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 35.7 t -58.9 -27.99 65.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.406 ' C ' HG23 ' A' ' 43' ' ' VAL . 5.9 mt -131.14 19.95 4.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 37' ' ' ARG . 12.4 tt0 -79.6 113.36 17.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 54.32 40.12 67.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.406 HG23 ' C ' ' A' ' 40' ' ' LEU . 59.8 t -93.57 136.64 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.322 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -39.09 124.72 1.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.6 -52.82 0.85 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.424 HG11 ' N ' ' A' ' 47' ' ' GLN . 94.8 t -64.67 137.85 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.344 . . . . 0.0 111.1 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.469 ' CG ' HD13 ' A' ' 18' ' ' LEU . 4.0 pt20 -109.12 -29.42 8.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.469 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 10.9 m-20 -161.75 159.49 27.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -152.28 133.62 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -125.88 131.15 52.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.7 t -112.56 118.27 57.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -109.01 99.58 8.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 52.7 tp -73.03 -23.17 60.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -64.19 -39.99 95.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -116.97 27.09 9.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 55' ' ' ASP . 10.7 mm-40 36.71 37.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.5 mmm -108.89 153.06 24.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 42.0 t -139.68 111.24 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.466 HD13 ' CG2' ' A' ' 20' ' ' THR . 2.8 mt -94.74 135.66 35.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.8 t -128.84 109.36 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -85.29 96.37 9.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.0 t -144.64 158.92 43.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.1 p -85.17 -2.26 57.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.0 mt -84.26 152.7 61.79 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.62 0.724 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 68' ' ' GLU . 54.0 Cg_endo -69.72 138.14 37.26 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.381 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 65' ' ' PRO . 1.9 p -36.6 -39.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -55.7 -46.46 77.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' PRO . 12.8 tt0 -62.31 -55.35 29.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.432 HG21 ' CD1' ' A' ' 21' ' ' LEU . 88.2 t -54.88 -50.47 61.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -38.14 -54.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.74 -48.38 72.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 62.4 mt -54.52 -38.07 66.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.7 mt -70.42 -49.67 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -54.59 -26.45 32.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -49.34 -30.89 12.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.438 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 47.7 p -83.24 19.64 1.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.352 . . . . 0.0 111.116 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.53 32.3 80.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.447 ' NH2' ' SG ' ' A' ' 32' ' ' CYS . 67.3 mtt-85 -119.04 168.86 10.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.799 0.333 . . . . 0.0 110.846 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -111.31 108.28 17.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.11 112.58 24.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.1 t -103.48 112.42 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.468 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 23.7 tp -65.47 120.17 12.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.991 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -44.17 11.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 175.51 110.91 0.27 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.539 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.8 ptm -83.26 138.7 33.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.69 -75.71 2.19 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.0 p -131.23 171.3 13.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.905 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 138.82 94.77 0.3 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.452 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -94.56 156.71 16.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.2 mt -100.18 144.83 28.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -139.25 121.63 16.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.54 160.2 15.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.7 t -162.91 139.44 7.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 144.46 82.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -177.58 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.7 m -99.19 -57.13 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.6 t -91.04 147.18 23.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.5 p -153.74 -179.13 7.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.831 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -162.87 145.39 10.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.06 174.17 15.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.494 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -173.24 176.42 2.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 0.0 110.85 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 8' ' ' MET . 1.4 t -62.73 112.55 2.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 8' ' ' MET . . . -40.67 93.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 6' ' ' SER . 4.5 ttt -35.81 151.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.57 173.5 8.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 11' ' ' ASP . 2.3 m -173.84 125.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' SER . 11.2 m-20 36.93 44.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.6 t -100.32 114.95 28.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -150.49 168.74 30.39 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.521 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -151.64 153.65 34.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.749 0.309 . . . . 0.0 110.905 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -86.1 86.58 7.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.89 101.71 0.33 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.3 t -133.13 127.45 33.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.801 0.334 . . . . 0.0 111.151 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.433 HD12 ' CG ' ' A' ' 47' ' ' GLN . 1.8 tt -89.6 138.78 31.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.8 m -134.37 164.79 26.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.1 m -99.13 121.96 41.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.09 125.82 54.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -99.05 142.97 29.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -141.86 130.97 23.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.41 95.17 9.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.0 t -99.36 141.99 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -89.79 101.88 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.4 mtm -95.54 166.01 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.5 p -131.32 -53.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.4 p -133.39 179.17 6.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' VAL . 41.4 tp60 -48.73 -56.54 8.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 30' ' ' GLN . 36.9 t -34.39 -61.7 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 36.4 m -41.55 -43.33 2.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 30' ' ' GLN . 60.2 t -67.92 -34.79 69.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' SER . 5.7 t0 -61.53 -52.69 63.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.33 -50.93 71.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.423 ' HA ' ' NH2' ' A' ' 78' ' ' ARG . 26.0 t -41.92 -52.06 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 41' ' ' GLN . 37.7 mtp85 -69.59 -53.31 19.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -52.28 -25.67 10.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.2 p -73.96 -26.47 60.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mt -132.39 24.06 4.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.949 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 37' ' ' ARG . 12.5 pt20 -80.61 120.3 24.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 40.3 49.65 3.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 44' ' ' ALA . 99.2 t -108.06 136.4 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.46 ' N ' HG13 ' A' ' 43' ' ' VAL . . . -35.28 134.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.32 -50.28 3.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.6 t -72.49 117.32 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 111.122 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.433 ' CG ' HD12 ' A' ' 18' ' ' LEU . 6.4 pt20 -91.52 -29.76 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -161.7 161.99 29.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -153.63 136.53 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -122.36 130.77 53.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 p -122.35 110.75 27.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.075 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -105.5 122.24 45.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.7 tp -84.67 -50.45 7.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -55.9 -31.06 62.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -103.87 4.84 35.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 43.12 37.02 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 65.9 mmm -112.64 162.38 15.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.3 t -151.77 105.72 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.152 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.417 ' C ' HG22 ' A' ' 60' ' ' VAL . 5.4 mp -89.92 162.53 15.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.417 HG22 ' C ' ' A' ' 59' ' ' LEU . 32.8 t -152.71 105.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.424 ' C ' HD21 ' A' ' 18' ' ' LEU . 10.0 m-70 -86.93 97.45 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.425 ' C ' ' HG ' ' A' ' 18' ' ' LEU . 8.9 t -145.09 163.14 35.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.2 p -87.03 3.11 47.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -90.34 152.24 45.39 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.553 0.692 . . . . 0.0 110.951 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 67' ' ' GLN . 54.5 Cg_endo -69.73 135.45 30.54 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.716 2.277 . . . . 0.0 112.374 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 65' ' ' PRO . 3.4 p -34.31 -33.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' PRO . 5.3 tt0 -58.64 -54.31 48.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -57.11 -51.85 67.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.5 t -57.0 -48.27 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -46.05 -41.85 12.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.38 -37.27 82.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.2 mt -63.83 -37.78 88.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.6 mt -71.97 -45.82 59.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -61.79 -21.2 64.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.36 -31.94 67.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.46 ' CG2' ' CZ ' ' A' ' 78' ' ' ARG . 68.1 p -68.68 -21.76 64.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.848 0.356 . . . . 0.0 111.146 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.91 12.72 29.23 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.455 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.46 ' CZ ' ' CG2' ' A' ' 76' ' ' THR . 7.0 ptt180 -104.51 172.82 6.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.752 0.31 . . . . 0.0 110.868 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -104.66 110.38 22.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.51 123.88 50.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.9 t -119.85 117.36 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.431 HD21 ' N ' ' A' ' 83' ' ' LYS . 1.3 tt -67.69 137.53 55.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.431 ' N ' HD21 ' A' ' 82' ' ' LEU . 30.3 mmtp -112.39 -43.8 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -175.69 115.69 0.54 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 29.2 mtp -42.82 -74.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.22 -103.27 0.1 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.532 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.3 t -171.13 134.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -126.13 81.11 0.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -67.66 83.08 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 0.0 110.958 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.0 tp -104.9 125.99 51.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -118.24 141.26 48.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -162.24 171.85 16.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.3 m -128.28 41.69 3.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.405 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 65.23 104.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.405 ' HD2' ' HA2' ' A' ' 94' ' ' GLY . 53.7 Cg_endo -69.8 120.23 7.04 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.314 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.7 p -46.64 115.11 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 98.6 p -71.63 157.94 37.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.837 0.351 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.61 HD21 ' HG2' ' A' ' 47' ' ' GLN . 47.8 tp -85.73 122.92 30.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.8 m -133.65 164.92 26.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.5 m -95.79 132.58 40.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.0 mt -120.52 119.64 33.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -93.73 118.82 31.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -123.06 127.68 49.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.54 96.08 10.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.5 t -99.23 129.9 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -78.09 107.35 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.3 mtm -105.74 163.73 12.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.3 p -129.56 -59.35 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 16.7 p -125.88 174.66 8.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' SER . 63.3 tp60 -44.27 -54.17 5.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' GLN . 31.7 t -34.64 -61.9 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.451 ' O ' HG23 ' A' ' 36' ' ' VAL . 27.2 m -47.5 -43.13 24.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 30' ' ' GLN . 59.0 t -68.5 -32.68 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.34 -35.51 63.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.59 -45.92 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 32' ' ' CYS . 42.8 t -56.3 -43.92 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.165 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.571 ' HG3' HG21 ' A' ' 51' ' ' VAL . 70.7 mtp180 -67.24 -48.06 68.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.454 ' HA ' ' CB ' ' A' ' 41' ' ' GLN . 13.1 ttmt -58.5 -44.76 89.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.4 p -48.22 -24.36 1.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mt -133.31 18.18 4.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.454 ' CB ' ' HA ' ' A' ' 38' ' ' LYS . 13.2 tt0 -80.11 114.73 19.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 48.22 48.18 26.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.436 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 44' ' ' ALA . 94.2 t -105.3 136.77 37.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 111.137 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.31 124.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.12 -57.48 1.22 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.489 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.0 t -59.68 130.76 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.328 . . . . 0.0 111.149 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.61 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -107.21 -29.42 9.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -160.9 155.89 24.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 70.2 t -152.58 123.62 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -110.11 132.43 54.18 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.571 HG21 ' HG3' ' A' ' 37' ' ' ARG . 97.5 t -121.64 116.86 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -110.27 110.44 21.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tp -78.02 -19.89 53.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -67.87 -41.67 82.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.32 25.15 11.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 38.98 36.63 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.0 mmm -102.0 160.65 14.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.449 HG13 HG22 ' A' ' 51' ' ' VAL . 96.5 t -154.79 105.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.106 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -86.54 162.15 18.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 81.7 t -152.58 108.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -89.31 92.41 9.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.475 HG21 ' CG2' ' A' ' 69' ' ' VAL . 9.8 t -138.26 160.6 39.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.3 p -81.13 -13.0 59.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.4 mt -80.38 152.86 73.68 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.597 0.713 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 160.24 50.44 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.4 p -57.02 -35.91 69.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -62.9 -25.46 68.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -82.6 -49.42 9.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.475 ' CG2' HG21 ' A' ' 62' ' ' THR . 98.1 t -66.86 -38.77 82.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -47.71 -46.65 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.93 97.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.6 mt -62.81 -32.84 74.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.57 -40.91 56.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.97 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -68.11 -22.84 64.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.57 -23.18 64.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.9 p -71.57 -24.28 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 111.143 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.97 -11.29 15.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -96.57 168.27 10.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.319 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -98.45 115.16 27.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -98.17 116.1 29.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.8 t -108.9 128.98 64.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 42.9 tp -72.99 123.02 22.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.1 m . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.809 0.338 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.447 HD11 ' CG ' ' A' ' 47' ' ' GLN . 2.1 tt -100.25 125.23 46.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.2 m -133.9 163.39 29.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.7 m -94.52 134.07 37.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.507 HD22 ' OG ' ' A' ' 66' ' ' SER . 16.1 mt -120.76 126.99 51.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -101.82 108.16 19.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -111.42 127.04 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.436 ' CB ' ' HE3' ' A' ' 83' ' ' LYS . . . -87.42 97.12 10.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.066 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.8 t -99.66 137.09 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -88.64 103.57 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 18.9 mtm -100.69 170.02 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.2 p -129.72 -48.63 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.7 p -140.16 175.29 9.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 31' ' ' SER . 9.2 tp-100 -43.73 -56.46 3.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' GLN . 14.9 t -34.57 -62.95 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.749 ' O ' HG23 ' A' ' 36' ' ' VAL . 17.6 m -40.46 -43.74 1.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.627 HG13 HG11 ' A' ' 51' ' ' VAL . 55.5 t -65.84 -41.01 89.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.125 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.64 -49.95 75.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.07 -54.89 35.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 32' ' ' CYS . 86.9 t -47.71 -45.65 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' GLN . 12.0 mtp-105 -66.77 -54.55 21.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -53.76 -32.02 50.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.1 p -67.4 -21.83 65.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.811 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.523 HD11 ' CD2' ' A' ' 73' ' ' LEU . 6.9 mt -134.73 20.99 3.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -81.11 116.97 21.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 42.58 36.92 2.47 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 44' ' ' ALA . 89.5 t -87.11 141.46 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 111.13 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.88 117.02 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.059 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.28 -49.73 1.04 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.441 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.8 t -69.6 123.55 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.447 ' CG ' HD11 ' A' ' 18' ' ' LEU . 5.7 pt20 -98.37 -25.69 14.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -164.98 159.81 18.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 59' ' ' LEU . 3.8 p -155.75 132.51 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -117.41 144.05 45.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.627 HG11 HG13 ' A' ' 33' ' ' VAL . 96.6 t -129.95 113.7 27.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -109.6 103.19 12.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.9 tp -70.16 -34.96 73.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -49.92 -45.38 50.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 56' ' ' GLN . 1.0 OUTLIER -114.91 27.93 9.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' ASP . 10.1 mm100 37.72 39.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.1 mmm -102.87 159.01 15.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.46 HG22 HG13 ' A' ' 51' ' ' VAL . 96.3 t -155.48 106.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.558 ' O ' HG23 ' A' ' 49' ' ' VAL . 5.1 mp -86.74 158.56 19.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 87.8 t -146.7 104.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -88.1 97.58 11.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.447 HG21 ' CG2' ' A' ' 69' ' ' VAL . 12.7 t -144.86 162.87 35.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.9 p -86.98 0.49 55.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.089 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.4 mt -90.29 152.88 46.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.622 0.725 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 144.77 54.87 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.328 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.507 ' OG ' HD22 ' A' ' 21' ' ' LEU . 66.4 m -44.18 -34.12 1.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -59.26 -51.57 69.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -60.47 -53.54 56.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.447 ' CG2' HG21 ' A' ' 62' ' ' THR . 77.3 t -56.73 -45.6 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -47.77 -42.71 26.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.96 90.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.09 -41.01 97.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.523 ' CD2' HD11 ' A' ' 40' ' ' LEU . 14.8 mt -67.69 -41.04 84.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -62.67 -25.16 68.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.77 -30.42 72.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 49.1 p -66.15 -24.47 66.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.83 0.347 . . . . 0.0 111.138 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.36 -18.59 10.15 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.528 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -92.89 171.17 9.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -106.33 120.99 43.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.86 111.24 23.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.2 t -101.38 110.22 27.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.2 tp -61.67 129.08 39.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.436 ' HE3' ' CB ' ' A' ' 24' ' ' ALA . 37.0 mmtt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.4 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.849 0.357 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.7 tp -68.78 121.47 16.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 m -133.59 161.96 33.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.463 ' CG2' HD23 ' A' ' 59' ' ' LEU . 11.3 m -91.68 136.33 33.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.568 ' CD1' HG21 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -131.05 116.7 18.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.456 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 14.7 mt-10 -88.15 141.03 28.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -143.48 117.6 9.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.29 96.59 4.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.058 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.0 t -97.55 135.44 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -84.13 102.85 12.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.1 mtm -102.79 169.17 8.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.5 p -132.23 -39.66 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.3 p -151.95 175.76 12.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' SER . 41.8 tp60 -42.35 -57.36 2.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' GLN . 25.7 t -37.56 -60.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.841 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.3 m -41.64 -38.56 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.713 HG13 HG11 ' A' ' 51' ' ' VAL . 67.7 t -69.71 -43.89 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -52.48 -58.75 5.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.63 -64.15 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 74.7 t -42.65 -50.85 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 41' ' ' GLN . 84.6 mtm180 -59.38 -55.91 28.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' C ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -50.47 -42.55 54.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.8 p -57.26 -23.35 47.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.615 ' O ' HG11 ' A' ' 46' ' ' VAL . 6.0 mt -134.1 23.79 3.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 37' ' ' ARG . 24.7 tp60 -86.33 108.39 18.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 50.06 34.84 24.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 44' ' ' ALA . 79.2 t -86.86 142.94 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.835 0.35 . . . . 0.0 111.101 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.75 109.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.03 -48.66 0.93 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.615 HG11 ' O ' ' A' ' 40' ' ' LEU . 41.4 t -67.69 122.69 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 111.092 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -97.87 -33.47 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 15.7 m-20 -158.05 161.78 38.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.5 p -153.77 124.94 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -110.09 133.95 52.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.713 HG11 HG13 ' A' ' 33' ' ' VAL . 39.2 t -122.0 107.82 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -100.2 101.54 12.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.493 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 19.2 tp -71.04 -29.74 65.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -59.02 -39.94 83.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -116.86 22.83 12.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 53' ' ' LEU . 61.8 mm-40 41.97 33.33 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.456 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 65.7 mmm -99.36 157.4 16.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.635 HG22 HG13 ' A' ' 51' ' ' VAL . 75.1 t -152.21 108.09 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.463 HD23 ' CG2' ' A' ' 20' ' ' THR . 4.9 mp -89.24 156.71 18.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.6 t -141.53 107.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -87.84 94.3 9.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.6 t -144.59 162.09 37.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.128 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.6 p -84.26 -6.22 59.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.613 HD22 ' OE1' ' A' ' 68' ' ' GLU . 15.5 mt -81.3 152.2 70.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.588 0.709 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 145.03 55.86 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.634 2.223 . . . . 0.0 112.389 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -39.96 -32.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -64.7 -52.99 54.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.613 ' OE1' HD22 ' A' ' 64' ' ' LEU . 5.1 tt0 -57.24 -39.7 76.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.651 ' HA ' HD12 ' A' ' 72' ' ' LEU . 62.1 t -70.54 -53.94 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -42.78 -48.08 5.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.96 89.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 69' ' ' VAL . 29.0 mt -56.07 -41.86 75.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.427 ' HG ' HD11 ' A' ' 40' ' ' LEU . 6.7 mt -66.07 -47.41 74.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -58.38 -25.94 62.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.93 -22.29 62.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 65.5 p -75.07 -23.77 58.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 111.18 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.61 -40.72 1.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -81.23 171.97 14.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -100.09 147.3 25.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -124.29 115.39 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.7 t -98.27 126.18 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.5 tp -72.32 120.8 18.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.812 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.5 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.798 0.332 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.901 HD11 ' HG2' ' A' ' 47' ' ' GLN . 2.2 tt -54.15 120.0 5.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 p -132.93 143.81 49.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.484 ' C ' HD13 ' A' ' 21' ' ' LEU . 87.0 m -98.33 120.16 38.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.19 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.675 ' N ' HD22 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -113.82 120.36 40.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.406 ' HB3' ' HE1' ' A' ' 57' ' ' MET . 8.4 mt-10 -89.11 111.0 21.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.541 ' CE2' ' HB2' ' A' ' 21' ' ' LEU . 77.6 m-85 -113.49 117.59 32.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.51 100.48 8.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.2 t -97.21 136.4 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -86.19 101.36 12.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.841 ' SD ' HG22 ' A' ' 33' ' ' VAL . 24.3 mtm -106.43 151.15 25.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.7 p -122.15 -21.63 5.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.124 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.3 p -152.39 -177.33 6.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 33' ' ' VAL . 2.8 mp0 -61.2 -55.4 32.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' GLN . 17.9 t -34.27 -64.31 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.869 ' O ' HG23 ' A' ' 36' ' ' VAL . 30.1 m -44.25 -39.49 4.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.841 HG22 ' SD ' ' A' ' 27' ' ' MET . 77.9 t -73.01 -42.42 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.73 -43.66 85.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.14 -37.79 81.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 32' ' ' CYS . 80.8 t -61.33 -45.22 99.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' GLN . 41.9 mtp180 -67.37 -57.89 5.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HD3' ' C ' ' A' ' 38' ' ' LYS . 4.2 tmtt? -51.59 -36.37 45.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.414 ' N ' ' HD3' ' A' ' 38' ' ' LYS . 13.5 m -57.11 -31.3 65.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.468 ' O ' HG11 ' A' ' 46' ' ' VAL . 5.6 mt -129.77 19.99 5.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 37' ' ' ARG . 20.0 tt0 -79.11 113.54 17.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 50.65 32.9 25.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.3 t -90.56 144.12 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.785 0.326 . . . . 0.0 111.168 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -38.66 135.37 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.86 -45.75 3.53 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.468 HG11 ' O ' ' A' ' 40' ' ' LEU . 96.5 t -73.6 116.66 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.765 0.317 . . . . 0.0 111.159 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.901 ' HG2' HD11 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -93.65 -29.69 15.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -159.32 157.24 30.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 59' ' ' LEU . 84.9 t -155.04 133.34 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -120.89 132.48 54.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.709 HG21 HG13 ' A' ' 33' ' ' VAL . 8.1 p -121.45 102.17 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -97.5 108.36 21.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.2 tp -71.19 -37.75 72.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.79 -60.09 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 56' ' ' GLN . 10.0 m-20 -95.35 25.84 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 55' ' ' ASP . 8.5 mm-40 35.77 38.1 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.406 ' HE1' ' HB3' ' A' ' 22' ' ' GLU . 45.6 mmm -103.96 154.79 19.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.643 HG22 HG23 ' A' ' 51' ' ' VAL . 57.3 t -149.92 106.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.518 ' O ' HG13 ' A' ' 49' ' ' VAL . 5.2 mp -87.02 159.79 18.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.7 t -150.5 104.96 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.438 ' HB3' HD21 ' A' ' 18' ' ' LEU . 1.7 m80 -88.57 90.03 8.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.45 HG21 ' CG2' ' A' ' 69' ' ' VAL . 7.5 t -135.46 158.0 45.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.117 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.9 p -77.89 -14.35 59.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.7 mt -74.42 152.45 87.75 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.565 0.698 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 67' ' ' GLN . 54.1 Cg_endo -69.74 135.6 30.92 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' PRO . 10.1 t -35.94 -30.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 65' ' ' PRO . 5.8 tp60 -62.61 -52.48 63.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 65' ' ' PRO . 1.7 tp10 -58.49 -48.23 81.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.45 ' CG2' HG21 ' A' ' 62' ' ' THR . 30.6 t -61.91 -50.37 80.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -45.78 -32.88 2.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.54 -41.02 61.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 78.7 mt -60.11 -36.31 77.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.5 mt -70.21 -48.76 55.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.87 -19.12 49.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.75 -21.62 76.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.6 p -76.03 -18.65 59.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 111.158 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.01 -42.82 1.5 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.579 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.2 ptp85 -80.76 172.46 13.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -94.48 159.36 15.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -135.04 110.31 8.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.052 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.1 t -98.67 134.91 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.5 tp -84.7 119.4 25.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.799 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.5 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.839 0.352 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.414 HD11 ' HB3' ' A' ' 47' ' ' GLN . 1.6 tt -84.69 126.81 33.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 74.6 m -134.19 157.54 45.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.2 m -92.1 130.14 37.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.765 ' CD1' HG21 ' A' ' 69' ' ' VAL . 12.8 mt -116.4 124.04 49.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.961 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -99.42 119.56 38.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 78.6 m-85 -122.46 131.68 53.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.29 98.03 10.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.9 t -99.77 145.39 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -88.67 117.07 27.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.519 ' HB2' HD12 ' A' ' 53' ' ' LEU . 21.3 mtm -129.21 156.9 43.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.8 p -127.89 -48.82 1.36 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 3.4 t -122.08 157.79 30.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 31' ' ' SER . 36.7 tp60 -41.32 -40.48 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 30' ' ' GLN . 6.3 m -34.75 -49.63 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.0 m -61.05 -52.59 64.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.474 HG13 ' CG1' ' A' ' 51' ' ' VAL . 82.9 t -52.7 -32.94 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -71.3 -51.04 26.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.02 -55.2 35.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.2 t -45.14 -49.79 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.432 ' HD2' ' CG1' ' A' ' 51' ' ' VAL . 52.2 mtp85 -69.44 -55.3 10.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -53.01 -25.06 10.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.8 t -72.76 -35.84 67.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mt -120.47 28.99 7.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.65 106.31 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 38.84 44.36 1.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 44' ' ' ALA . 48.0 t -85.46 139.23 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -33.93 117.38 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.86 -47.99 0.99 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 42.8 t -80.69 117.05 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.337 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 5.4 pt20 -85.14 -29.08 25.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 5.4 m-20 -159.18 164.09 35.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.3 p -155.73 128.71 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -116.95 132.04 56.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.474 ' CG1' HG13 ' A' ' 33' ' ' VAL . 3.3 p -123.79 112.75 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.094 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -105.64 108.69 20.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.519 HD12 ' HB2' ' A' ' 27' ' ' MET . 13.0 tp -76.41 -25.83 54.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -67.67 -45.45 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 56' ' ' GLN . 2.0 m-20 -105.52 26.46 9.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 55' ' ' ASP . 26.0 mm-40 34.8 35.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 55' ' ' ASP . 46.7 mmm -106.36 159.32 16.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.471 HG22 HG23 ' A' ' 51' ' ' VAL . 83.9 t -154.23 107.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.36 162.1 17.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.1 t -151.21 107.43 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -90.78 97.41 11.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.462 HG21 HG22 ' A' ' 69' ' ' VAL . 14.4 t -143.18 162.94 34.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.0 p -88.44 1.23 55.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mt -85.06 152.25 58.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.626 0.727 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.8 Cg_endo -69.75 139.16 39.6 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.646 2.231 . . . . 0.0 112.397 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 65' ' ' PRO . 17.0 t -34.52 -63.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' SER . 9.6 pt20 -37.5 -44.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 65' ' ' PRO . 10.5 tp10 -64.44 -59.8 3.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.765 HG21 ' CD1' ' A' ' 21' ' ' LEU . 66.4 t -50.26 -40.14 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -51.72 -35.46 43.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.56 -41.44 54.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 69' ' ' VAL . 21.1 mt -62.0 -20.9 64.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 35.7 mt -91.69 -42.91 9.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -62.93 -18.78 63.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.78 -26.55 71.2 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 28.8 p -69.95 -8.47 49.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 111.128 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.77 8.57 60.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -115.11 163.55 15.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -97.5 120.37 37.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -105.31 120.46 41.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.4 t -105.58 104.85 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.422 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 20.7 tp -57.97 118.72 5.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.876 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.79 0.329 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.596 HD11 ' HG2' ' A' ' 47' ' ' GLN . 1.4 tt -76.49 114.86 15.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.953 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 97.7 m -134.34 149.79 50.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.1 m -88.9 120.26 30.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.408 HD12 HG21 ' A' ' 69' ' ' VAL . 3.0 mt -107.27 127.18 53.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.632 ' O ' HD12 ' A' ' 82' ' ' LEU . 11.1 mt-10 -93.43 132.2 37.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 58' ' ' VAL . 51.0 m-85 -136.26 120.82 18.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.426 ' HB2' ' HG3' ' A' ' 83' ' ' LYS . . . -90.13 95.02 10.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.435 ' CG2' HG21 ' A' ' 58' ' ' VAL . 15.2 t -99.98 143.94 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.165 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -87.06 127.19 35.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.445 ' HB2' HD12 ' A' ' 53' ' ' LEU . 20.8 mtm -134.55 154.15 51.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.8 p -122.85 -62.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.456 ' O ' ' C ' ' A' ' 30' ' ' GLN . 1.7 t -108.42 148.59 29.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 29' ' ' CYS . 11.9 tp60 -33.65 -42.34 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' GLN . 30.8 p -34.11 -67.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.929 ' O ' HG23 ' A' ' 36' ' ' VAL . 58.4 m -38.73 -44.85 1.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.537 HG13 ' CG1' ' A' ' 51' ' ' VAL . 93.7 t -64.98 -41.07 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' SER . 3.2 t0 -57.54 -50.52 72.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.599 ' HB3' HH21 ' A' ' 78' ' ' ARG . . . -67.73 -55.04 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.929 HG23 ' O ' ' A' ' 32' ' ' CYS . 85.7 t -39.7 -38.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' GLN . 59.3 mtp180 -74.89 -53.51 8.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -53.42 -35.53 60.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 92.7 p -59.74 -31.52 69.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mt -127.14 20.11 6.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 37' ' ' ARG . 11.4 tt0 -73.95 108.63 6.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 49.28 41.02 30.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 92.9 t -92.09 141.32 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -37.47 145.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.61 -52.21 3.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.401 HG11 ' CG2' ' A' ' 49' ' ' VAL . 94.1 t -66.52 130.13 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.342 . . . . 0.0 111.106 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.596 ' HG2' HD11 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -100.64 -32.47 10.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.481 ' HB2' ' NE2' ' A' ' 47' ' ' GLN . 2.6 t70 -158.04 154.93 28.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.401 ' CG2' HG11 ' A' ' 46' ' ' VAL . 97.2 t -146.46 129.15 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -126.85 112.46 15.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.537 ' CG1' HG13 ' A' ' 33' ' ' VAL . 7.3 p -103.34 127.33 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -116.18 115.65 26.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.445 HD12 ' HB2' ' A' ' 27' ' ' MET . 7.4 tp -84.66 -23.6 29.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -68.61 -53.08 24.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' GLN . 7.5 m-20 -97.78 25.22 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' ASP . 3.9 mm-40 34.38 43.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 40.9 mmm -111.04 167.21 10.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 23' ' ' PHE . 95.3 t -155.54 109.99 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -103.32 140.6 37.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 99.1 t -136.19 106.46 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -81.34 98.1 8.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.45 HG21 ' CG2' ' A' ' 69' ' ' VAL . 6.8 t -145.19 161.76 38.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.0 p -87.21 -7.18 58.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.461 HD13 ' CD ' ' A' ' 68' ' ' GLU . 6.0 mt -78.17 152.57 79.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 110.912 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.8 Cg_endo -69.8 139.38 39.92 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.332 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' PRO . 71.2 m -34.38 -57.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -38.53 -46.44 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.461 ' CD ' HD13 ' A' ' 64' ' ' LEU . 16.2 tm-20 -61.18 -62.87 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.45 ' CG2' HG21 ' A' ' 62' ' ' THR . 74.2 t -48.09 -44.56 12.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -46.85 -43.4 18.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.63 94.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.42 -36.67 78.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.5 mt -76.57 -44.48 34.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -61.45 -12.93 16.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.4 -28.09 62.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 72.7 p -77.24 -1.19 28.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 111.148 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.29 27.53 30.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.449 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.599 HH21 ' HB3' ' A' ' 35' ' ' ALA . 18.3 mtt-85 -125.86 163.61 22.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -102.03 121.48 42.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -100.79 124.03 45.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.4 t -115.92 107.88 23.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 22' ' ' GLU . 17.4 tp -60.88 131.85 52.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.426 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 40.7 mmtt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.8 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.798 0.332 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.601 HD11 ' HG2' ' A' ' 47' ' ' GLN . 4.2 tt -72.92 113.36 9.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 m -130.46 154.1 48.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.48 HG23 ' CD2' ' A' ' 61' ' ' HIS . 58.7 m -93.06 105.8 17.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.452 HD22 ' HB2' ' A' ' 66' ' ' SER . 5.5 mt -84.98 125.28 32.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.964 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.583 ' HG3' HD13 ' A' ' 59' ' ' LEU . 16.9 mt-10 -95.48 128.81 42.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -131.72 147.77 52.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.681 ' HB3' ' HB ' ' A' ' 81' ' ' VAL . . . -103.93 96.47 6.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.3 t -102.54 135.97 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 27' ' ' MET . 1.1 tm0? -92.57 113.91 26.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.427 ' O ' ' NE2' ' A' ' 26' ' ' GLN . 14.8 mtm -115.0 169.34 9.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.4 p -128.98 -45.2 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.1 p -138.34 -175.87 4.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 31' ' ' SER . 14.1 tp60 -56.34 -49.47 74.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 30' ' ' GLN . 50.8 m -34.23 -68.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 70.9 m -38.65 -53.02 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.579 HG13 HG11 ' A' ' 51' ' ' VAL . 94.2 t -56.19 -48.49 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -47.77 -51.48 22.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.46 -58.85 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.7 t -42.49 -38.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 41' ' ' GLN . 88.8 mtt180 -72.46 -53.19 12.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -57.3 -30.06 64.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.446 ' HB2' ' CG2' ' A' ' 76' ' ' THR . 28.9 t -65.02 -22.0 66.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.799 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.617 ' CB ' HG21 ' A' ' 49' ' ' VAL . 7.4 mt -132.89 10.55 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 37' ' ' ARG . 2.5 tm0? -75.42 109.86 9.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 58.36 46.2 93.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.3 t -104.06 136.64 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 111.086 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -37.67 141.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.88 -49.17 3.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.6 t -65.41 137.6 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.601 ' HG2' HD11 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -113.19 -30.42 6.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -162.96 152.37 15.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.617 HG21 ' CB ' ' A' ' 40' ' ' LEU . 96.6 t -141.8 114.54 4.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -99.95 119.96 39.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.647 HG13 HG22 ' A' ' 58' ' ' VAL . 29.9 t -109.41 109.82 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -101.16 103.84 14.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.1 tp -76.46 -29.39 56.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.39 -52.05 67.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -102.07 25.52 8.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 39.7 38.85 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 37.3 mmm -109.87 160.75 16.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.647 HG22 HG13 ' A' ' 51' ' ' VAL . 92.1 t -155.42 107.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.876 HD23 ' N ' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -94.63 149.99 20.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.8 t -133.46 109.03 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.48 ' CD2' HG23 ' A' ' 20' ' ' THR . 4.9 m170 -85.04 94.5 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.0 t -143.7 163.54 32.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.7 p -85.1 -10.58 56.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.203 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.9 mt -78.38 152.2 78.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.666 0.746 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 151.99 69.06 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.452 ' HB2' HD22 ' A' ' 21' ' ' LEU . 2.6 t -48.04 -57.59 5.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -41.16 -39.89 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -67.77 -63.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 72' ' ' LEU . 61.7 t -48.77 -47.35 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 69' ' ' VAL . 19.7 tt0 -36.49 -49.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -43.48 95.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 69' ' ' VAL . 78.9 mt -56.58 -41.46 76.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.7 mt -72.72 -49.03 33.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -56.02 -25.63 45.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.7 -34.09 75.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.534 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.446 ' CG2' ' HB2' ' A' ' 39' ' ' SER . 78.9 p -66.7 -23.03 66.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.854 0.359 . . . . 0.0 111.12 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.61 32.07 4.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.8 mtp85 -128.54 163.83 24.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.76 0.314 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -96.77 109.79 22.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.1 113.86 25.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.681 ' HB ' ' HB3' ' A' ' 24' ' ' ALA . 65.8 t -104.52 104.6 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 22' ' ' GLU . 25.1 tp -54.16 125.02 17.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.566 ' CE ' ' HB2' ' A' ' 24' ' ' ALA . 43.4 mmtt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.445 ' O ' HG23 ' A' ' 17' ' ' THR . 9.6 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.824 0.345 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.484 HD21 ' NE2' ' A' ' 47' ' ' GLN . 53.8 tp -93.19 123.09 36.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 51.7 m -134.41 151.82 51.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.4 m -90.12 124.42 34.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.648 ' CD1' HG21 ' A' ' 69' ' ' VAL . 4.8 mt -112.04 121.69 45.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.462 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 8.7 mt-10 -101.53 111.84 24.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.438 ' CE1' HD13 ' A' ' 82' ' ' LEU . 96.6 m-85 -116.1 124.17 49.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.61 99.41 10.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.8 t -100.19 144.24 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -90.53 112.54 24.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 21.1 mtm -120.87 162.17 20.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.2 p -124.6 -57.33 1.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 30' ' ' GLN . 17.5 t -125.49 162.04 25.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.466 ' C ' ' O ' ' A' ' 29' ' ' CYS . 17.2 tp60 -32.94 -49.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 30' ' ' GLN . 13.2 t -33.03 -69.94 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 89.2 m -40.76 -40.81 1.41 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.651 HG13 HG11 ' A' ' 51' ' ' VAL . 90.7 t -71.84 -40.05 68.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -57.71 -34.84 69.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.05 -44.8 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.1 t -53.2 -46.53 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 41' ' ' GLN . 70.3 mtp180 -68.23 -57.02 6.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -53.2 -30.56 38.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.6 m -61.84 -37.67 85.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mt -123.93 20.04 9.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 37' ' ' ARG . 1.8 tt0 -71.8 112.86 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 43.94 40.74 5.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.6 t -91.99 145.21 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 111.116 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.93 124.0 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.7 -47.94 1.28 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.5 t -74.75 135.28 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.484 ' NE2' HD21 ' A' ' 18' ' ' LEU . 3.8 pt20 -106.02 -28.74 10.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.474 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 5.6 t70 -161.4 166.5 27.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 48' ' ' ASP . 42.2 t -156.93 118.76 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -107.17 123.15 47.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.651 HG11 HG13 ' A' ' 33' ' ' VAL . 53.3 t -105.57 133.41 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -125.7 106.25 9.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.6 tp -80.07 -28.7 39.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -60.55 -43.93 96.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -111.26 21.06 16.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 40.84 41.25 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.462 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 61.2 mmm -106.67 151.86 24.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.0 t -139.44 108.12 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.0 mp -91.31 158.8 16.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.1 t -152.74 104.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -87.44 99.19 11.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.416 HG21 ' CG2' ' A' ' 69' ' ' VAL . 9.6 t -143.7 161.94 37.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.2 p -87.28 4.94 40.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.157 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.4 mt -90.48 152.5 45.4 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.611 0.72 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.1 Cg_endo -69.71 140.03 41.85 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.357 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' PRO . 68.0 p -33.82 -64.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 66' ' ' SER . 14.6 pt20 -34.63 -46.71 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.34 -61.21 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.648 HG21 ' CD1' ' A' ' 21' ' ' LEU . 61.1 t -51.58 -47.0 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -47.64 -40.43 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.8 95.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.36 -30.87 71.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.4 mt -77.03 -36.26 56.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -69.56 -21.77 63.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.53 -29.85 75.86 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 58.6 p -66.73 -21.52 66.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 111.091 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.83 -10.48 34.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.06 172.07 8.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.742 0.306 . . . . 0.0 110.846 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -104.54 110.25 22.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.8 116.07 28.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.3 t -103.47 122.21 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.438 HD13 ' CE1' ' A' ' 23' ' ' PHE . 63.9 tp -72.46 121.51 19.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.816 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.857 0.36 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.1 tp -76.46 116.7 17.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.1 m -134.29 159.2 41.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.4 m -88.75 133.91 34.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 66' ' ' SER . 4.2 mt -126.58 109.87 12.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.468 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 10.8 mt-10 -84.58 129.52 34.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' A' ' 70' ' ' GLN . 57.0 m-85 -133.18 119.14 19.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.68 97.04 5.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.5 t -98.8 137.74 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -70.54 129.19 38.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.448 ' HB2' HD12 ' A' ' 53' ' ' LEU . 15.7 mtm -143.89 140.49 29.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 70.0 p -122.74 -24.66 4.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 1.9 t -146.2 159.21 43.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.467 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 34.6 tp60 -41.78 -42.17 2.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 34' ' ' ASP . 5.0 t -34.43 -70.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.99 ' O ' HG23 ' A' ' 36' ' ' VAL . 70.7 m -37.79 -44.21 0.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.687 HG13 HG11 ' A' ' 51' ' ' VAL . 41.8 t -62.18 -41.96 93.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.9 OUTLIER -57.35 -44.37 84.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.52 -43.23 56.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.99 HG23 ' O ' ' A' ' 32' ' ' CYS . 94.4 t -49.36 -44.63 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 41' ' ' GLN . 34.7 mtp85 -66.61 -55.88 13.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.425 ' C ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -51.02 -44.71 61.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 p -48.69 -29.49 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.437 ' O ' HG11 ' A' ' 46' ' ' VAL . 4.3 mt -132.69 20.66 4.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 37' ' ' ARG . 7.0 tt0 -74.75 119.2 18.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 39.35 37.56 0.78 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.8 t -86.58 143.63 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 111.165 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.33 108.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 111.0 -48.96 0.88 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.437 HG11 ' O ' ' A' ' 40' ' ' LEU . 41.5 t -65.4 125.77 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 0.0 111.175 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -102.57 -32.17 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 8.6 t0 -156.69 157.41 35.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.9 p -153.37 120.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -110.61 131.37 55.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.687 HG11 HG13 ' A' ' 33' ' ' VAL . 39.2 t -116.95 125.78 74.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -121.97 100.57 7.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.448 HD12 ' HB2' ' A' ' 27' ' ' MET . 8.0 tp -71.07 -25.98 62.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -60.62 -41.74 95.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 56' ' ' GLN . 1.4 m-20 -112.61 24.07 12.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 55' ' ' ASP . 16.8 mm-40 37.12 44.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 60.4 mmm -112.86 159.38 19.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.5 t -146.51 105.87 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.0 mp -86.96 159.0 19.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.404 ' CG2' HD13 ' A' ' 40' ' ' LEU . 80.1 t -152.62 107.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -89.77 93.58 9.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.0 t -142.2 163.48 32.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.2 p -84.86 -7.46 59.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.0 mt -77.88 152.31 79.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.624 0.726 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.5 Cg_endo -69.75 139.7 40.88 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.686 2.258 . . . . 0.0 112.312 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.581 ' HB3' HD22 ' A' ' 21' ' ' LEU . 35.3 p -34.19 -61.12 0.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 66' ' ' SER . 8.4 tt0 -35.04 -52.14 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -56.79 -61.77 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.462 ' HA ' HD12 ' A' ' 72' ' ' LEU . 98.5 t -49.5 -38.2 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.479 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 43.7 tt0 -64.02 -31.52 72.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.81 -32.93 63.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 69' ' ' VAL . 19.1 mt -72.51 -37.07 68.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.9 mt -66.13 -49.23 68.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -61.39 -23.82 66.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.01 -16.91 62.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.533 HG21 ' NH2' ' A' ' 78' ' ' ARG . 73.0 p -76.79 -24.1 52.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.847 0.356 . . . . 0.0 111.193 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.92 -36.77 3.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.62 ' HE ' HG22 ' A' ' 36' ' ' VAL . 6.6 ptt-85 -80.9 172.04 14.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.854 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -86.37 148.83 25.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.16 117.86 9.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.8 t -119.45 145.65 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.445 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 10.8 tp -82.75 137.51 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.842 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.813 0.339 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 tt -82.36 118.78 23.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.9 m -134.22 160.26 38.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.643 ' CG2' HD23 ' A' ' 59' ' ' LEU . 93.8 m -93.62 129.61 39.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.443 HD22 ' OG ' ' A' ' 66' ' ' SER . 2.1 mt -119.31 111.29 18.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.44 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 28.3 mt-10 -88.27 127.4 35.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.497 ' O ' ' N ' ' A' ' 58' ' ' VAL . 70.9 m-85 -132.35 128.84 38.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.511 ' HB2' ' HE3' ' A' ' 83' ' ' LYS . . . -85.25 94.57 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 78' ' ' ARG . 54.3 t -98.45 148.81 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -79.15 134.68 36.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 29.9 mtm -148.07 122.29 9.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.2 -34.82 10.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' GLN . 83.6 m -153.23 177.29 11.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.468 ' O ' ' C ' ' A' ' 31' ' ' SER . 38.5 tp60 -37.93 -56.8 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 30' ' ' GLN . 11.9 t -32.71 -70.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.535 ' O ' HG23 ' A' ' 36' ' ' VAL . 21.9 m -37.9 -46.39 0.95 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.828 HG13 HG11 ' A' ' 51' ' ' VAL . 99.7 t -65.27 -42.25 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 31' ' ' SER . 87.8 m-20 -53.0 -50.7 63.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.3 -48.71 80.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 32' ' ' CYS . 96.5 t -51.99 -50.54 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 41' ' ' GLN . 46.3 mtp180 -63.21 -58.63 6.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -51.27 -37.13 45.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 p -58.71 -34.46 71.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 mt -125.9 24.6 7.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 37' ' ' ARG . 5.1 tt0 -80.83 116.85 21.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.53 42.12 7.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 44' ' ' ALA . 78.0 t -96.12 133.95 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.52 124.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.76 -55.23 1.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.8 126.09 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.741 0.305 . . . . 0.0 111.194 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -100.53 -34.95 9.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 2.8 t70 -153.23 162.11 41.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 49' ' ' VAL . 2.8 p -156.99 111.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -99.33 134.13 42.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.828 HG11 HG13 ' A' ' 33' ' ' VAL . 62.0 t -116.91 111.82 36.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -103.89 108.35 19.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.3 tp -76.81 -33.49 57.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -52.22 -44.55 64.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.54 23.91 12.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 38.82 42.85 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.44 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 62.3 mmm -102.3 162.54 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.943 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' PHE . 62.8 t -148.3 105.15 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.643 HD23 ' CG2' ' A' ' 20' ' ' THR . 3.7 mp -88.24 151.32 22.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.6 t -141.47 105.28 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -86.24 90.8 8.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.411 HG21 ' CG2' ' A' ' 69' ' ' VAL . 6.4 t -138.88 163.53 32.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.6 p -91.26 9.61 30.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.7 mt -98.72 152.53 37.9 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.606 0.717 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.0 Cg_endo -69.68 145.23 56.95 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.715 2.276 . . . . 0.0 112.347 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' GLN . 67.0 m -36.33 -65.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' SER . 13.9 pt20 -34.53 -43.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 6.1 tt0 -62.0 -53.59 53.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.616 ' HA ' HD12 ' A' ' 72' ' ' LEU . 93.0 t -66.36 -56.53 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 69' ' ' VAL . 58.3 tt0 -36.93 -52.68 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.9 -47.15 81.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.068 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 69' ' ' VAL . 47.7 mt -54.77 -37.59 66.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.0 mt -67.1 -51.08 58.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -56.62 -23.02 38.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.51 -25.61 55.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.51 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 71.5 p -72.43 -17.65 61.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 111.093 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.7 -31.87 5.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.524 ' CZ ' HG22 ' A' ' 36' ' ' VAL . 4.9 ptt85 -80.79 172.8 13.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.745 0.307 . . . . 0.0 110.866 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -107.69 132.18 53.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -104.25 132.18 50.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.5 t -113.04 105.88 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.436 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 29.3 tp -58.99 139.75 56.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.511 ' HE3' ' HB2' ' A' ' 24' ' ' ALA . 66.8 mmtt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.592 HD21 ' HG2' ' A' ' 47' ' ' GLN . 18.1 tp -76.16 122.13 23.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 81.7 m -131.98 160.56 35.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.1 m -96.36 126.21 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.479 HD22 ' HB3' ' A' ' 66' ' ' SER . 2.1 mt -116.18 132.66 56.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -102.67 127.73 49.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 58' ' ' VAL . 63.6 m-85 -134.12 128.62 34.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.24 97.32 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.5 t -100.06 136.36 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -70.08 132.2 45.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.431 ' SD ' HG22 ' A' ' 33' ' ' VAL . 30.9 mtm -151.04 120.74 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 t -105.34 -32.79 8.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.5 p -131.39 -175.82 3.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 33' ' ' VAL . 44.3 tp60 -62.93 -53.56 52.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 30' ' ' GLN . 14.2 t -34.56 -59.22 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 65.6 m -46.24 -41.62 13.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.976 HG13 HG11 ' A' ' 51' ' ' VAL . 60.4 t -73.53 -37.21 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -60.07 -28.19 67.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' SER . . . -77.67 -48.84 15.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 72.9 t -50.3 -47.89 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 37' ' ' ARG . 14.6 mtp-105 -71.03 -50.31 35.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HD3' ' C ' ' A' ' 38' ' ' LYS . 1.3 tmtp? -63.44 -19.69 64.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 35' ' ' ALA . 19.3 t -73.12 -36.84 66.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 mt -123.67 25.03 8.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.455 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.5 tt0 -53.84 106.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 41' ' ' GLN . . . 33.66 36.02 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' GLN . 75.3 t -75.37 145.81 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.123 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.91 139.42 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.54 -49.05 4.16 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.6 t -71.07 135.99 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.336 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.592 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -111.33 -30.08 7.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.418 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 4.8 t70 -155.68 156.54 35.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.3 t -153.24 114.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -103.8 149.28 25.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.976 HG11 HG13 ' A' ' 33' ' ' VAL . 89.5 t -136.37 124.28 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -116.97 106.03 12.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.5 tp -74.75 -21.98 59.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -66.69 -48.33 69.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.87 16.16 24.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 46.59 39.14 6.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 69.6 mmm -101.54 163.27 12.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 23' ' ' PHE . 42.5 t -155.53 107.7 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.3 mp -91.41 162.03 14.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.7 t -152.71 107.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -87.49 92.58 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.478 ' C ' HD12 ' A' ' 18' ' ' LEU . 10.1 t -139.45 163.45 32.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.6 p -85.51 -6.86 59.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.7 mt -79.99 152.38 74.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.587 0.708 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.2 Cg_endo -69.72 137.16 34.91 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.479 ' HB3' HD22 ' A' ' 21' ' ' LEU . 78.6 p -34.48 -62.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' SER . 55.1 mm-40 -37.07 -47.96 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -59.11 -59.84 4.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.431 ' HA ' HD12 ' A' ' 72' ' ' LEU . 93.6 t -51.36 -48.29 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -44.09 -48.45 8.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.97 -41.03 86.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 69' ' ' VAL . 44.3 mt -64.25 -31.52 72.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.8 mt -79.03 -23.86 44.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.961 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -79.3 -28.74 42.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.82 -17.89 63.45 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.481 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.2 p -75.41 -14.09 60.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.82 0.343 . . . . 0.0 111.103 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.28 -35.75 4.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.454 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.737 ' N ' ' HE ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -84.89 168.38 15.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.765 0.317 . . . . 0.0 110.894 -179.854 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -104.5 121.17 42.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -98.15 119.07 36.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.5 t -103.88 117.16 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.9 tp -58.12 118.63 5.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.826 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 17' ' ' THR . 9.0 t . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.814 0.34 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.655 HD13 ' OE1' ' A' ' 47' ' ' GLN . 1.3 tt -92.47 117.93 30.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -125.88 162.88 24.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.572 HG23 ' CE1' ' A' ' 61' ' ' HIS . 38.3 m -100.21 99.95 10.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 mt -77.86 119.69 21.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.592 ' HG3' HD13 ' A' ' 59' ' ' LEU . 11.1 mt-10 -93.48 115.07 27.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 76.8 m-85 -118.49 165.4 13.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.573 ' HB3' ' HB ' ' A' ' 81' ' ' VAL . . . -121.53 101.85 7.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.1 t -107.74 142.84 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.492 ' O ' ' CZ ' ' A' ' 78' ' ' ARG . 10.5 tt0 -88.05 110.89 20.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 24.6 mtm -112.62 161.34 16.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.5 p -113.84 -62.09 1.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.4 m -133.14 -174.98 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 31' ' ' SER . 35.3 tp60 -43.68 -56.38 3.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 30' ' ' GLN . 4.1 t -34.21 -70.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' SER . 2.7 m -36.33 -38.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.553 ' CG1' HG11 ' A' ' 51' ' ' VAL . 22.0 t -68.32 -48.23 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' SER . 3.1 m-20 -54.63 -38.31 66.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.71 -57.79 6.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.7 t -49.11 -40.67 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.497 ' NE ' HG12 ' A' ' 33' ' ' VAL . 87.0 mtm180 -69.64 -58.27 4.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -51.24 -37.36 46.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 p -58.97 -31.54 68.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.464 HD13 ' CG2' ' A' ' 60' ' ' VAL . 6.8 mt -128.27 23.82 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 37' ' ' ARG . 5.5 tt0 -81.96 113.42 19.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 52.02 37.55 45.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.412 ' O ' ' C ' ' A' ' 44' ' ' ALA . 93.6 t -90.42 143.95 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.373 . . . . 0.0 111.094 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -36.35 137.47 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.056 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.28 -43.21 2.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.8 t -68.54 137.8 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.655 ' OE1' HD13 ' A' ' 18' ' ' LEU . 6.2 pt20 -114.93 -29.32 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -159.15 156.94 29.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -147.57 113.73 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -104.99 112.24 25.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.776 HG23 HG22 ' A' ' 58' ' ' VAL . 11.8 p -107.32 113.76 44.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -105.4 117.17 33.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.0 tp -84.59 -26.88 27.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -62.34 -44.9 95.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 56' ' ' GLN . 4.5 m-20 -107.16 24.38 12.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 55' ' ' ASP . 6.9 mm-40 36.21 38.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 23' ' ' PHE . 54.7 mmm -110.27 152.15 26.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.79 ' C ' HD23 ' A' ' 59' ' ' LEU . 55.6 t -142.18 114.35 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.866 HD23 ' N ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -103.73 147.01 27.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.957 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.464 ' CG2' HD13 ' A' ' 40' ' ' LEU . 71.0 t -133.71 110.18 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.572 ' CE1' HG23 ' A' ' 20' ' ' THR . 2.4 m80 -86.98 98.82 11.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.502 HG21 ' CG2' ' A' ' 69' ' ' VAL . 8.8 t -145.1 163.11 35.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.419 HG23 HD12 ' A' ' 18' ' ' LEU . 69.7 p -88.35 -0.3 57.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.466 HD13 ' OE2' ' A' ' 68' ' ' GLU . 12.9 mt -86.29 152.31 55.14 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.554 0.693 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.1 Cg_endo -69.69 143.57 51.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.355 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' PRO . 40.2 p -34.54 -66.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 66' ' ' SER . 14.1 pt20 -34.71 -41.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.466 ' OE2' HD13 ' A' ' 64' ' ' LEU . 10.5 tt0 -64.17 -55.28 22.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.528 ' HA ' HD12 ' A' ' 72' ' ' LEU . 82.4 t -65.28 -55.09 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 69' ' ' VAL . 39.5 tt0 -36.39 -52.56 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.95 -49.19 78.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 69' ' ' VAL . 32.2 mt -54.49 -29.59 50.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.4 mt -75.11 -45.32 41.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -61.21 -26.12 67.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.06 -24.39 42.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 62.1 p -69.2 -15.36 63.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 0.0 111.079 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.5 -19.52 28.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 26' ' ' GLN . 16.4 mtt-85 -96.82 172.57 7.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -103.49 140.8 37.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -118.2 122.36 42.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.573 ' HB ' ' HB3' ' A' ' 24' ' ' ALA . 50.6 t -103.78 111.91 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.175 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.542 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 20.3 tp -67.95 117.88 10.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.856 0.36 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.526 HD11 ' HG3' ' A' ' 47' ' ' GLN . 1.5 tt -108.82 124.99 51.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.466 ' N ' HD23 ' A' ' 18' ' ' LEU . 47.9 m -134.62 154.88 51.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.0 m -106.32 114.58 28.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.097 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.642 ' CD1' HG21 ' A' ' 69' ' ' VAL . 5.2 mt -95.8 147.32 23.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.472 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 9.9 mt-10 -121.27 103.86 9.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.44 ' HB3' ' HB1' ' A' ' 80' ' ' ALA . 86.7 m-85 -108.86 126.75 53.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.57 102.5 14.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.7 t -98.96 145.28 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -87.66 102.92 15.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.4 mtm -108.2 155.83 20.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.6 p -119.59 -44.92 2.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.167 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.3 p -139.89 179.64 6.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 31' ' ' SER . 8.8 tp-100 -48.88 -52.03 26.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' ASP . 27.9 t -34.43 -67.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.802 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.433 ' HA ' ' NH2' ' A' ' 78' ' ' ARG . 1.8 m -37.52 -45.8 0.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.73 HG13 HG11 ' A' ' 51' ' ' VAL . 90.7 t -63.07 -40.67 89.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 31' ' ' SER . 8.8 t0 -54.54 -52.71 61.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.19 -62.5 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.536 HG23 ' NH1' ' A' ' 78' ' ' ARG . 81.8 t -39.32 -49.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' GLN . 64.5 mtp180 -59.95 -54.79 41.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -53.17 -50.34 64.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.9 t -48.17 -26.09 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.845 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.484 HD13 ' CG2' ' A' ' 60' ' ' VAL . 7.3 mt -132.32 24.4 4.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 37' ' ' ARG . 52.4 tp60 -81.17 106.92 13.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.98 40.64 7.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.459 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.1 t -89.0 150.16 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.6 133.82 2.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.484 ' O ' ' NE2' ' A' ' 47' ' ' GLN . . . 88.74 -49.01 3.58 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.8 t -70.68 140.14 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 111.105 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.64 ' N ' HE21 ' A' ' 47' ' ' GLN . 0.0 OUTLIER -114.23 -29.05 7.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -158.54 156.31 29.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 70.0 t -150.15 125.11 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -113.52 131.03 56.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.73 HG11 HG13 ' A' ' 33' ' ' VAL . 57.5 t -116.33 127.16 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -124.36 103.07 8.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.4 tp -75.87 -30.83 59.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -53.94 -42.44 68.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.7 24.32 11.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 40.59 40.76 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.472 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 70.6 mmm -107.77 151.11 26.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.1 t -143.4 106.53 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.18 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.3 mp -89.78 160.81 16.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.954 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.484 ' CG2' HD13 ' A' ' 40' ' ' LEU . 93.1 t -152.77 105.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -82.45 101.28 10.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.645 HG21 ' CG2' ' A' ' 69' ' ' VAL . 5.9 t -144.13 153.99 42.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.8 p -83.58 8.79 13.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.3 mt -98.68 152.97 38.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.599 0.714 . . . . 0.0 110.966 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.1 Cg_endo -69.75 143.09 49.78 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 65' ' ' PRO . 0.4 OUTLIER -33.77 -62.54 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.484 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 9.8 pt20 -34.7 -48.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.484 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 6.0 tp10 -59.04 -62.82 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.645 ' CG2' HG21 ' A' ' 62' ' ' THR . 96.7 t -49.16 -47.99 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -44.26 -44.24 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.55 99.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 69' ' ' VAL . 26.7 mt -62.5 -39.31 93.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.0 mt -71.53 -51.87 21.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -53.3 -22.04 6.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.41 -16.53 58.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.2 p -84.88 10.51 11.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.4 -29.57 3.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.536 ' NH1' HG23 ' A' ' 36' ' ' VAL . 28.3 mtt180 -83.7 164.17 19.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 0.0 110.871 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -99.31 145.28 27.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.44 ' HB1' ' HB3' ' A' ' 23' ' ' PHE . . . -122.63 120.38 33.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.138 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.2 t -97.95 112.05 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.176 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.8 tp -63.71 126.75 28.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.851 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.2 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.815 0.341 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.4 tp -80.46 112.99 18.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 66.6 m -132.81 149.8 52.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.531 HG23 ' CE1' ' A' ' 61' ' ' HIS . 56.9 m -86.68 101.26 13.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.791 ' CD1' HG21 ' A' ' 69' ' ' VAL . 4.2 mt -82.18 120.94 25.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.548 ' HG3' HD13 ' A' ' 59' ' ' LEU . 6.5 mt-10 -93.4 128.74 39.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.429 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 59.8 m-85 -131.96 151.69 51.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.35 95.9 6.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.7 t -104.87 135.65 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -77.69 136.45 38.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.448 ' SD ' HG22 ' A' ' 33' ' ' VAL . 26.9 mtm -147.79 140.46 24.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.3 t -130.1 -40.71 1.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.5 p -121.15 162.44 20.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 31' ' ' SER . 44.0 tp60 -49.02 -55.8 10.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 30' ' ' GLN . 68.4 m -34.28 -57.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.6 m -46.57 -46.96 19.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.885 HG13 HG11 ' A' ' 51' ' ' VAL . 76.4 t -68.91 -46.16 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -50.64 -54.06 25.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.59 -63.77 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 72.6 t -40.55 -55.01 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' GLN . 50.0 mtp180 -54.79 -53.07 60.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -53.44 -51.52 62.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.9 p -50.97 -23.18 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 mt -131.67 25.12 4.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 37' ' ' ARG . 35.8 tp60 -81.93 108.81 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 43.08 40.52 4.35 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.0 t -88.99 147.6 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.39 143.43 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.07 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.86 -44.51 2.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.6 t -76.66 131.27 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -102.12 -32.81 9.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 21.5 m-20 -157.05 163.81 38.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.8 t -155.38 135.15 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -120.09 146.18 46.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.885 HG11 HG13 ' A' ' 33' ' ' VAL . 67.2 t -132.44 131.66 60.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -124.96 113.68 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.6 tp -76.41 -55.54 5.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -58.34 -37.07 74.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -91.92 -13.13 31.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 55.53 42.86 29.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.5 mmm -118.83 163.92 16.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.629 ' C ' HD23 ' A' ' 59' ' ' LEU . 71.2 t -154.99 106.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.875 HD23 ' N ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -94.18 148.02 22.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.946 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -134.7 104.43 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.531 ' CE1' HG23 ' A' ' 20' ' ' THR . 2.6 m80 -80.51 88.94 5.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.468 HG21 HG22 ' A' ' 69' ' ' VAL . 6.1 t -137.91 157.57 46.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.2 p -81.91 2.45 30.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.3 mt -86.72 152.17 53.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.671 0.748 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.6 Cg_endo -69.72 140.73 43.52 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 65' ' ' PRO . 13.9 t -34.0 -63.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' SER . 17.8 pt20 -35.14 -53.22 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -55.96 -61.25 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.791 HG21 ' CD1' ' A' ' 21' ' ' LEU . 71.6 t -49.16 -40.41 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -60.38 -31.16 70.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.18 -37.38 66.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.02 -40.53 87.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 35.7 mt -64.87 -53.64 43.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 77' ' ' GLY . 26.2 mt-10 -50.62 -35.24 29.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -44.89 -24.85 0.82 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.483 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 66.7 p -93.24 26.13 3.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 111.145 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . 56.03 15.93 11.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 78' ' ' ARG . 5.8 mmp_? -91.64 169.56 10.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -110.27 97.77 7.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.96 113.95 25.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.072 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.4 t -112.74 104.57 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.429 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 13.5 tp -53.94 125.07 17.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.875 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.7 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.828 0.346 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.591 ' CA ' HG22 ' A' ' 63' ' ' THR . 66.2 tp -68.12 123.36 20.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -133.73 162.82 30.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.554 ' CG2' HD23 ' A' ' 59' ' ' LEU . 29.2 m -99.55 128.8 45.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.419 HD22 ' HB3' ' A' ' 66' ' ' SER . 5.6 mt -117.48 122.35 43.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.473 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 26.2 mt-10 -104.0 119.35 38.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 58' ' ' VAL . 66.4 m-85 -123.34 132.99 54.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.607 ' HB2' ' HG3' ' A' ' 83' ' ' LYS . . . -86.61 95.76 9.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.4 t -103.84 148.32 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -80.32 135.9 36.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 33.7 mtm -152.33 125.1 8.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 t -108.67 -43.85 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.6 t -125.11 151.75 45.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 31' ' ' SER . 7.4 tp60 -37.75 -41.26 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 30' ' ' GLN . 5.0 m -34.42 -51.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.511 ' O ' HG23 ' A' ' 36' ' ' VAL . 85.2 m -56.43 -54.5 44.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.7 t -51.67 -39.21 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.95 -45.54 91.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.82 -41.66 78.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 32' ' ' CYS . 88.6 t -62.47 -47.67 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 41' ' ' GLN . 45.2 mtp180 -65.85 -47.58 74.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -61.78 -41.88 98.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.6 p -56.03 -26.68 50.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.457 ' CB ' HG21 ' A' ' 49' ' ' VAL . 7.4 mt -130.74 22.87 5.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 37' ' ' ARG . 6.7 tp-100 -77.04 115.6 16.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' GLN . . . 38.44 45.89 1.94 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 44' ' ' ALA . 78.5 t -96.89 147.17 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -33.96 130.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.71 -55.67 5.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.541 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.8 t -62.46 127.3 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 111.071 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.449 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -100.07 -33.21 10.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.449 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 1.5 t70 -160.39 158.84 30.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.457 HG21 ' CB ' ' A' ' 40' ' ' LEU . 37.3 t -150.96 112.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -99.51 140.5 33.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.0 t -122.29 131.96 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -123.6 98.31 5.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.2 tp -68.02 -26.9 66.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -59.16 -43.06 92.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -114.75 22.09 13.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 38.98 44.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 78.5 mmm -106.0 158.32 16.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 23' ' ' PHE . 55.0 t -139.94 109.78 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.554 HD23 ' CG2' ' A' ' 20' ' ' THR . 1.9 mp -92.69 147.51 22.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.0 t -140.41 105.15 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -86.38 88.74 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.7 t -138.57 159.99 40.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.591 HG22 ' CA ' ' A' ' 18' ' ' LEU . 57.2 p -88.0 2.72 51.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.0 mt -87.76 152.19 51.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.645 0.736 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.0 Cg_endo -69.71 137.54 35.86 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' PRO . 57.0 p -35.6 -65.58 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 66' ' ' SER . 13.2 pt20 -34.47 -41.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 9.1 tt0 -66.73 -54.11 26.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.469 ' HA ' HD12 ' A' ' 72' ' ' LEU . 86.7 t -61.28 -53.03 54.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 69' ' ' VAL . 47.9 tt0 -33.49 -52.83 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.32 -46.2 86.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 69' ' ' VAL . 95.4 mt -51.9 -42.32 62.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mt -68.5 -41.02 80.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -61.05 -30.85 70.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.24 -27.73 53.14 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.405 ' HB ' ' NH2' ' A' ' 78' ' ' ARG . 68.6 p -69.32 -22.39 63.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 111.183 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.22 -32.58 5.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.405 ' NH2' ' HB ' ' A' ' 76' ' ' THR . 23.4 mtm-85 -80.81 165.91 21.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -103.59 121.59 43.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.415 ' HB1' ' HB3' ' A' ' 23' ' ' PHE . . . -97.83 110.98 23.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.1 t -101.18 105.79 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 22' ' ' GLU . 24.2 tp -50.24 134.39 22.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.607 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 35.0 mmtm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.799 0.333 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.594 HD21 ' HG2' ' A' ' 47' ' ' GLN . 11.9 tp -58.07 122.63 13.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.4 m -131.47 138.0 48.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.577 HG21 HD13 ' A' ' 59' ' ' LEU . 59.9 m -84.7 125.49 32.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.544 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -111.11 112.38 24.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.495 ' HB3' ' HE1' ' A' ' 57' ' ' MET . 5.7 mt-10 -79.78 104.81 10.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.546 ' CE1' ' HG ' ' A' ' 82' ' ' LEU . 59.9 m-85 -112.7 115.32 28.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.46 97.18 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.8 t -97.37 131.14 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -79.48 107.38 12.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 8.8 mtm -100.42 165.84 11.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.0 p -133.4 -39.45 0.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.1 p -152.64 176.05 12.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 31' ' ' SER . 46.0 tp60 -43.67 -56.07 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 34' ' ' ASP . 6.8 t -34.25 -66.69 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.429 ' O ' HG23 ' A' ' 36' ' ' VAL . 20.9 m -38.55 -48.79 1.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.674 HG13 HG11 ' A' ' 51' ' ' VAL . 79.3 t -59.71 -37.06 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 31' ' ' SER . 7.4 t0 -64.07 -45.56 88.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.01 -34.64 78.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.763 HG23 HH12 ' A' ' 78' ' ' ARG . 55.7 t -64.68 -45.86 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 41' ' ' GLN . 66.3 mtp85 -71.16 -46.94 60.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -62.61 -45.7 91.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.3 p -55.3 -19.77 9.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 mt -134.44 23.81 3.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 37' ' ' ARG . 54.4 tp60 -85.98 114.75 23.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 50.41 46.74 44.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.5 t -98.92 141.66 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.867 0.365 . . . . 0.0 111.082 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -43.37 130.8 4.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.46 -50.83 2.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 83.7 t -71.2 147.24 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.125 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.594 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -116.7 -31.57 5.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.412 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 15.5 t0 -153.72 165.13 36.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.3 p -156.89 112.02 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -103.17 121.35 42.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.674 HG11 HG13 ' A' ' 33' ' ' VAL . 11.6 p -105.74 107.62 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -101.03 99.48 9.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.3 tp -72.72 -33.0 66.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -54.94 -59.27 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.2 22.1 6.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 39.07 46.81 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.495 ' HE1' ' HB3' ' A' ' 22' ' ' GLU . 69.4 mmm -119.97 156.76 30.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.5 t -143.77 115.19 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.577 HD13 HG21 ' A' ' 20' ' ' THR . 3.4 mt -101.1 135.12 43.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.9 t -124.16 104.05 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -79.23 89.12 4.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.576 HG21 ' CG2' ' A' ' 69' ' ' VAL . 7.5 t -136.88 157.57 46.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 60.4 p -79.94 -13.88 59.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.1 mt -76.79 152.15 82.7 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.589 0.709 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.82 51.91 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.312 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 68' ' ' GLU . 2.9 m -40.27 -63.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 66' ' ' SER . 18.0 pt20 -34.6 -34.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 66' ' ' SER . 3.4 tp10 -73.3 -60.25 2.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.576 ' CG2' HG21 ' A' ' 62' ' ' THR . 76.6 t -53.79 -37.91 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -51.2 -32.65 24.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.45 -39.71 45.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.9 mt -66.67 -28.97 68.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.6 mt -75.17 -48.52 23.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 77' ' ' GLY . 26.1 mt-10 -54.29 -30.89 52.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -42.07 -24.73 0.2 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 74' ' ' GLU . 63.4 p -86.17 24.41 1.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.806 0.336 . . . . 0.0 111.147 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . 57.19 35.32 69.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.763 HH12 HG23 ' A' ' 36' ' ' VAL . 31.2 mtp180 -131.81 171.33 13.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.885 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -104.81 135.43 46.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -121.02 111.39 17.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.12 118.75 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.178 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.546 ' HG ' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -76.4 121.2 22.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.437 ' N ' HD23 ' A' ' 82' ' ' LEU . 24.8 mmtp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.819 0.342 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.686 HD21 ' HG2' ' A' ' 47' ' ' GLN . 14.2 tp -68.81 128.09 35.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.0 p -128.69 154.14 46.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.0 m -102.99 125.92 49.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.66 HD22 ' HB3' ' A' ' 66' ' ' SER . 2.7 mt -116.15 119.05 34.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.45 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 21.2 mt-10 -101.18 103.59 14.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.64 ' HB3' ' HB1' ' A' ' 80' ' ' ALA . 79.0 m-85 -105.12 137.03 43.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.77 97.87 11.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.455 ' CG1' ' CD ' ' A' ' 78' ' ' ARG . 48.0 t -98.61 147.33 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -90.77 118.42 30.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.1 mtm -132.33 138.29 47.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.3 p -107.81 -60.56 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.171 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 30' ' ' GLN . 2.6 t -107.01 149.26 27.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 29' ' ' CYS . 22.5 tp60 -33.65 -41.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 34' ' ' ASP . 18.0 p -34.38 -69.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' SER . 74.1 m -36.52 -46.53 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.562 HG21 ' HB2' ' A' ' 53' ' ' LEU . 67.6 t -61.72 -40.76 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' SER . 7.1 m-20 -59.67 -41.72 91.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.74 -54.77 9.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.7 t -41.47 -44.88 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' GLN . 59.7 mtm180 -67.41 -54.46 20.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -54.77 -31.26 58.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.7 t -60.8 -35.67 77.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.531 ' HB2' HG21 ' A' ' 49' ' ' VAL . 4.1 mt -126.73 20.57 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 37' ' ' ARG . 14.6 tt0 -71.23 110.05 5.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 45.05 44.77 9.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' ALA . 79.4 t -96.28 143.89 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.862 0.363 . . . . 0.0 111.091 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -36.35 141.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.02 -52.63 4.27 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.3 t -64.85 137.02 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.686 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -109.03 -33.22 6.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.434 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 8.7 t0 -158.5 154.29 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.531 HG21 ' HB2' ' A' ' 40' ' ' LEU . 76.1 t -147.79 115.86 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -106.98 112.44 25.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 51' ' ' VAL . 9.3 p -104.5 124.05 58.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -117.55 104.85 11.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.562 ' HB2' HG21 ' A' ' 33' ' ' VAL . 4.5 tp -71.6 -29.73 65.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -57.64 -48.58 79.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 56' ' ' GLN . 1.2 m-20 -103.4 25.17 9.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 55' ' ' ASP . 8.1 mm-40 34.45 45.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.45 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 54.9 mmm -114.35 158.01 22.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.6 t -140.49 112.59 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.516 ' O ' HG13 ' A' ' 49' ' ' VAL . 3.4 mp -97.13 153.2 18.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.5 t -151.5 104.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -87.7 95.11 9.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.463 HG21 ' CG2' ' A' ' 69' ' ' VAL . 8.8 t -141.94 159.56 41.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.0 p -79.09 -12.11 60.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.578 HD13 ' OE2' ' A' ' 68' ' ' GLU . 20.3 mt -74.06 151.92 88.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.658 0.742 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 146.42 60.61 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.723 2.282 . . . . 0.0 112.379 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.66 ' HB3' HD22 ' A' ' 21' ' ' LEU . 60.3 p -45.98 -34.79 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -62.94 -37.01 85.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.578 ' OE2' HD13 ' A' ' 64' ' ' LEU . 10.5 tt0 -71.68 -50.23 32.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.911 ' HA ' HD12 ' A' ' 72' ' ' LEU . 48.3 t -62.04 -46.25 96.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -41.76 -54.87 3.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.24 97.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.911 HD12 ' HA ' ' A' ' 69' ' ' VAL . 22.1 mt -56.58 -29.73 62.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.3 mt -79.68 -51.37 9.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -52.39 -22.14 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.25 -7.75 20.36 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.5 p -91.11 -3.23 57.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 0.0 111.18 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.21 -48.95 0.88 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.455 ' CD ' ' CG1' ' A' ' 25' ' ' VAL . 6.7 ptp85 -80.77 172.56 13.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 110.844 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 80' ' ' ALA . 66.0 tt0 -102.81 164.67 11.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.64 ' HB1' ' HB3' ' A' ' 23' ' ' PHE . . . -133.01 111.71 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.433 HG12 ' HE2' ' A' ' 83' ' ' LYS . 85.9 t -96.42 104.83 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.554 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 9.5 tp -55.44 133.66 50.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.433 ' HE2' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.852 0.358 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.734 HD21 ' HG2' ' A' ' 47' ' ' GLN . 13.6 tp -71.54 124.02 23.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.8 m -131.34 147.31 52.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.615 HG21 HD13 ' A' ' 59' ' ' LEU . 25.2 m -94.56 125.78 39.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.552 ' N ' HD22 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -111.43 109.99 20.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.485 ' HG2' HD21 ' A' ' 59' ' ' LEU . 13.4 mt-10 -78.38 110.58 13.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 21' ' ' LEU . 61.7 m-85 -117.8 114.84 23.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.43 97.52 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.477 HG11 ' HD2' ' A' ' 78' ' ' ARG . 91.7 t -97.25 134.86 33.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -83.62 105.27 14.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.1 mtm -119.63 150.39 40.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.5 p -121.43 -48.15 2.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' GLN . 1.4 t -124.72 152.33 43.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' VAL . 15.9 tp60 -35.23 -44.07 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' GLN . 12.4 m -34.09 -55.99 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.94 ' O ' HG23 ' A' ' 36' ' ' VAL . 7.3 m -56.91 -44.47 82.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.711 HG13 HG21 ' A' ' 51' ' ' VAL . 53.4 t -60.66 -43.93 95.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -55.77 -52.0 65.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.64 -38.0 89.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.94 HG23 ' O ' ' A' ' 32' ' ' CYS . 98.9 t -59.34 -49.85 81.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.548 ' NE ' HG12 ' A' ' 51' ' ' VAL . 55.1 mtt180 -68.42 -51.98 37.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 41' ' ' GLN . 42.9 tttt -55.6 -44.85 77.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.6 p -50.38 -27.56 6.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 mt -129.82 17.61 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 37' ' ' ARG . 22.3 tt0 -79.54 106.75 11.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.36 42.0 98.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 44' ' ' ALA . 78.3 t -101.47 136.79 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.352 . . . . 0.0 111.076 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -35.89 138.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.26 -50.67 4.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.2 t -71.67 138.7 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.756 0.312 . . . . 0.0 111.177 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.734 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -109.76 -37.43 5.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 10.1 m-20 -153.41 156.26 37.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.3 p -150.85 116.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.504 ' OE1' ' CD2' ' A' ' 61' ' ' HIS . 16.3 mp0 -101.75 143.46 31.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.711 HG21 HG13 ' A' ' 33' ' ' VAL . 2.8 p -129.19 107.14 14.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -101.96 102.09 12.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.6 tp -71.89 -30.42 65.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -59.27 -47.66 84.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 56' ' ' GLN . 3.6 m-20 -104.92 22.88 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 55' ' ' ASP . 11.3 mm100 37.26 44.48 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.458 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 47.6 mmm -116.35 157.98 24.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.4 t -148.23 115.8 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.148 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.615 HD13 HG21 ' A' ' 20' ' ' THR . 3.4 mt -99.51 145.0 27.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.2 t -132.95 99.16 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.504 ' CD2' ' OE1' ' A' ' 50' ' ' GLU . 7.8 m-70 -74.75 88.92 2.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.543 HG21 ' CG2' ' A' ' 69' ' ' VAL . 5.2 t -136.66 155.04 50.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.7 p -80.72 -9.11 59.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.7 mt -78.6 152.27 77.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.592 0.711 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.7 Cg_endo -69.79 139.83 41.07 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 65' ' ' PRO . 7.8 t -34.1 -64.32 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 66' ' ' SER . 15.5 pt20 -35.36 -46.57 0.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 22.7 tt0 -60.07 -57.53 12.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.783 ' HA ' HD12 ' A' ' 72' ' ' LEU . 55.2 t -58.14 -55.55 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 69' ' ' VAL . 48.1 tt0 -34.46 -47.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.11 -46.91 82.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.057 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 69' ' ' VAL . 25.2 mt -54.38 -27.95 39.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.0 mt -79.31 -42.33 25.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.942 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -62.89 -20.52 65.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.49 -27.67 72.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.451 ' OG1' ' CZ ' ' A' ' 78' ' ' ARG . 82.6 p -71.37 -24.74 62.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 111.171 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.24 -39.17 1.94 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.815 ' HE ' HG22 ' A' ' 36' ' ' VAL . 5.0 ptt-85 -80.69 172.23 14.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 110.877 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -102.84 153.75 19.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.416 ' HB1' ' HB3' ' A' ' 23' ' ' PHE . . . -133.06 110.13 10.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.7 t -98.18 126.67 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.2 tp -76.18 116.67 17.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.776 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.797 0.332 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 tt -94.86 121.22 36.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.3 m -134.39 154.35 51.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.3 m -90.24 106.08 18.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.782 HD22 ' HB3' ' A' ' 66' ' ' SER . 4.1 mt -82.47 122.18 27.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.474 ' HG2' HD21 ' A' ' 59' ' ' LEU . 15.0 mt-10 -93.75 112.03 23.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.468 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 64.8 m-85 -116.81 154.13 31.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.79 96.03 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.9 t -102.64 136.53 34.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -87.17 116.11 25.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 13.7 mtm -117.57 169.58 9.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.8 p -128.78 -53.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.6 p -135.19 -179.06 5.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -50.94 -51.89 47.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.86 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' GLN . 14.8 m -36.57 -51.08 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.447 ' SG ' ' NH2' ' A' ' 78' ' ' ARG . 13.2 m -55.68 -41.97 74.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 30' ' ' GLN . 78.7 t -63.27 -42.66 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -57.84 -49.6 76.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.52 -60.7 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.063 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.2 t -45.64 -47.25 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.509 ' HG3' HG21 ' A' ' 51' ' ' VAL . 60.6 mtt-85 -62.17 -57.6 10.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -51.43 -35.97 41.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.432 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 35.7 t -58.9 -27.99 65.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.456 HD21 ' HB2' ' A' ' 72' ' ' LEU . 5.9 mt -131.14 19.95 4.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 37' ' ' ARG . 12.4 tt0 -79.6 113.36 17.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 54.32 40.12 67.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.438 HG21 ' HA ' ' A' ' 40' ' ' LEU . 59.8 t -93.57 136.64 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.322 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -39.09 124.72 1.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.6 -52.82 0.85 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.8 t -64.67 137.85 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.344 . . . . 0.0 111.1 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.476 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 4.0 pt20 -109.12 -29.42 8.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 10.9 m-20 -161.75 159.49 27.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -152.28 133.62 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -125.88 131.15 52.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.509 HG21 ' HG3' ' A' ' 37' ' ' ARG . 48.7 t -112.56 118.27 57.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -109.01 99.58 8.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 52.7 tp -73.03 -23.17 60.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -64.19 -39.99 95.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -116.97 27.09 9.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 55' ' ' ASP . 10.7 mm-40 36.71 37.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.5 mmm -108.89 153.06 24.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 42.0 t -139.68 111.24 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.474 HD21 ' HG2' ' A' ' 22' ' ' GLU . 2.8 mt -94.74 135.66 35.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.8 t -128.84 109.36 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -85.29 96.37 9.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.478 HG21 ' CG2' ' A' ' 69' ' ' VAL . 7.0 t -144.64 158.92 43.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.1 p -85.17 -2.26 57.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.406 HD13 ' OE2' ' A' ' 68' ' ' GLU . 5.0 mt -84.26 152.7 61.79 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.62 0.724 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 68' ' ' GLU . 54.0 Cg_endo -69.72 138.14 37.26 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.381 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.782 ' HB3' HD22 ' A' ' 21' ' ' LEU . 1.9 p -36.6 -39.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -55.7 -46.46 77.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' PRO . 12.8 tt0 -62.31 -55.35 29.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.478 ' CG2' HG21 ' A' ' 62' ' ' THR . 88.2 t -54.88 -50.47 61.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -38.14 -54.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.74 -48.38 72.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.456 ' HB2' HD21 ' A' ' 40' ' ' LEU . 62.4 mt -54.52 -38.07 66.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.435 ' HG ' HD11 ' A' ' 40' ' ' LEU . 11.7 mt -70.42 -49.67 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -54.59 -26.45 32.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -49.34 -30.89 12.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.438 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 47.7 p -83.24 19.64 1.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.352 . . . . 0.0 111.116 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.53 32.3 80.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.447 ' NH2' ' SG ' ' A' ' 32' ' ' CYS . 67.3 mtt-85 -119.04 168.86 10.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.799 0.333 . . . . 0.0 110.846 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -111.31 108.28 17.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.11 112.58 24.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.1 t -103.48 112.42 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 22' ' ' GLU . 23.7 tp -65.47 120.17 12.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.991 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 17' ' ' THR . 10.3 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.801 0.334 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.677 HD13 ' OE1' ' A' ' 47' ' ' GLN . 1.8 tt -89.6 138.78 31.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.8 m -134.37 164.79 26.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.1 m -99.13 121.96 41.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.09 125.82 54.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -99.05 142.97 29.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -141.86 130.97 23.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.41 95.17 9.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.0 t -99.36 141.99 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -89.79 101.88 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.4 mtm -95.54 166.01 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.5 p -131.32 -53.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.4 p -133.39 179.17 6.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' VAL . 41.4 tp60 -48.73 -56.54 8.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 30' ' ' GLN . 36.9 t -34.39 -61.7 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 36.4 m -41.55 -43.33 2.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.487 HG13 ' CG2' ' A' ' 51' ' ' VAL . 60.2 t -67.92 -34.79 69.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' SER . 5.7 t0 -61.53 -52.69 63.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.33 -50.93 71.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.437 ' HA ' ' NH2' ' A' ' 78' ' ' ARG . 26.0 t -41.92 -52.06 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 41' ' ' GLN . 37.7 mtp85 -69.59 -53.31 19.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -52.28 -25.67 10.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.2 p -73.96 -26.47 60.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mt -132.39 24.06 4.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.949 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 37' ' ' ARG . 12.5 pt20 -80.61 120.3 24.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 40.3 49.65 3.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 41' ' ' GLN . 99.2 t -108.06 136.4 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -35.28 134.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.32 -50.28 3.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.6 t -72.49 117.32 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 111.122 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.677 ' OE1' HD13 ' A' ' 18' ' ' LEU . 6.4 pt20 -91.52 -29.76 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -161.7 161.99 29.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 59' ' ' LEU . 7.6 p -153.63 136.53 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -122.36 130.77 53.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.525 ' O ' HG13 ' A' ' 51' ' ' VAL . 7.7 p -122.35 110.75 27.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.075 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -105.5 122.24 45.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.7 tp -84.67 -50.45 7.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -55.9 -31.06 62.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -103.87 4.84 35.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 43.12 37.02 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 65.9 mmm -112.64 162.38 15.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.426 HG22 HG23 ' A' ' 51' ' ' VAL . 19.3 t -151.77 105.72 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.509 ' O ' HG23 ' A' ' 49' ' ' VAL . 5.4 mp -89.92 162.53 15.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.8 t -152.71 105.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -86.93 97.45 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.457 HG21 ' CG2' ' A' ' 69' ' ' VAL . 8.9 t -145.09 163.14 35.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.2 p -87.03 3.11 47.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -90.34 152.24 45.39 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.553 0.692 . . . . 0.0 110.951 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 67' ' ' GLN . 54.5 Cg_endo -69.73 135.45 30.54 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.716 2.277 . . . . 0.0 112.374 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.471 ' HB2' HD12 ' A' ' 82' ' ' LEU . 3.4 p -34.31 -33.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' PRO . 5.3 tt0 -58.64 -54.31 48.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -57.11 -51.85 67.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.573 ' HA ' HD12 ' A' ' 72' ' ' LEU . 46.5 t -57.0 -48.27 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -46.05 -41.85 12.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.38 -37.27 82.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 69' ' ' VAL . 56.2 mt -63.83 -37.78 88.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.6 mt -71.97 -45.82 59.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -61.79 -21.2 64.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.36 -31.94 67.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.729 HG21 ' CZ ' ' A' ' 78' ' ' ARG . 68.1 p -68.68 -21.76 64.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.848 0.356 . . . . 0.0 111.146 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.91 12.72 29.23 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.455 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.729 ' CZ ' HG21 ' A' ' 76' ' ' THR . 7.0 ptt180 -104.51 172.82 6.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.752 0.31 . . . . 0.0 110.868 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -104.66 110.38 22.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.51 123.88 50.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.9 t -119.85 117.36 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.723 HD23 ' N ' ' A' ' 83' ' ' LYS . 1.3 tt -67.69 137.53 55.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.723 ' N ' HD23 ' A' ' 82' ' ' LEU . 30.3 mmtp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -169.64 140.76 2.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.892 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -147.17 163.97 34.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.74 119.63 0.76 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -156.84 166.14 34.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.816 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -160.68 164.41 31.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.67 71.83 0.25 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 34.1 mtt -117.66 145.21 44.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.792 0.329 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.51 116.45 17.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.9 p -43.45 139.1 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -96.63 99.41 11.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.1 p -145.54 112.27 5.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.26 114.89 0.65 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -113.19 123.55 50.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.319 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -131.83 104.01 6.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -164.28 121.66 1.03 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.3 t -161.12 129.75 4.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 0.0 111.18 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.61 HD21 ' HG2' ' A' ' 47' ' ' GLN . 47.8 tp -85.73 122.92 30.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.8 m -133.65 164.92 26.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.5 m -95.79 132.58 40.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.0 mt -120.52 119.64 33.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -93.73 118.82 31.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -123.06 127.68 49.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.54 96.08 10.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.5 t -99.23 129.9 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -78.09 107.35 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.3 mtm -105.74 163.73 12.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.3 p -129.56 -59.35 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 16.7 p -125.88 174.66 8.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' SER . 63.3 tp60 -44.27 -54.17 5.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' GLN . 31.7 t -34.64 -61.9 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.451 ' O ' HG23 ' A' ' 36' ' ' VAL . 27.2 m -47.5 -43.13 24.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 30' ' ' GLN . 59.0 t -68.5 -32.68 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.34 -35.51 63.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.59 -45.92 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 32' ' ' CYS . 42.8 t -56.3 -43.92 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.165 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.571 ' HG3' HG21 ' A' ' 51' ' ' VAL . 70.7 mtp180 -67.24 -48.06 68.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.454 ' HA ' ' CB ' ' A' ' 41' ' ' GLN . 13.1 ttmt -58.5 -44.76 89.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.4 p -48.22 -24.36 1.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mt -133.31 18.18 4.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.454 ' CB ' ' HA ' ' A' ' 38' ' ' LYS . 13.2 tt0 -80.11 114.73 19.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 48.22 48.18 26.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.436 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 44' ' ' ALA . 94.2 t -105.3 136.77 37.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 111.137 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.31 124.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.12 -57.48 1.22 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.489 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.0 t -59.68 130.76 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.328 . . . . 0.0 111.149 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.61 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -107.21 -29.42 9.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -160.9 155.89 24.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 70.2 t -152.58 123.62 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -110.11 132.43 54.18 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.571 HG21 ' HG3' ' A' ' 37' ' ' ARG . 97.5 t -121.64 116.86 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -110.27 110.44 21.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tp -78.02 -19.89 53.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -67.87 -41.67 82.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.32 25.15 11.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 38.98 36.63 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.0 mmm -102.0 160.65 14.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.449 HG13 HG22 ' A' ' 51' ' ' VAL . 96.5 t -154.79 105.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.106 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -86.54 162.15 18.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 81.7 t -152.58 108.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -89.31 92.41 9.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.475 HG21 ' CG2' ' A' ' 69' ' ' VAL . 9.8 t -138.26 160.6 39.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.3 p -81.13 -13.0 59.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.4 mt -80.38 152.86 73.68 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.597 0.713 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 160.24 50.44 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.4 p -57.02 -35.91 69.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -62.9 -25.46 68.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -82.6 -49.42 9.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.475 ' CG2' HG21 ' A' ' 62' ' ' THR . 98.1 t -66.86 -38.77 82.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -47.71 -46.65 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.93 97.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.6 mt -62.81 -32.84 74.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.57 -40.91 56.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.97 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -68.11 -22.84 64.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.57 -23.18 64.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.9 p -71.57 -24.28 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 111.143 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.97 -11.29 15.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -96.57 168.27 10.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.319 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -98.45 115.16 27.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -98.17 116.1 29.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.8 t -108.9 128.98 64.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 42.9 tp -72.99 123.02 22.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.74 17.05 7.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 165.3 110.48 0.23 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.0 ttt -110.11 43.68 1.33 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 174.94 171.77 39.32 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.2 m -141.36 162.65 34.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.386 . . . . 0.0 110.91 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 177.7 130.96 1.45 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.532 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -127.15 133.28 50.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.356 . . . . 0.0 110.921 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.9 mt -112.64 115.94 29.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -89.18 163.72 15.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -138.02 133.65 33.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.6 m -105.23 154.9 19.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.92 155.99 10.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 149.07 66.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.257 . . . . 0.0 112.395 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.7 m -101.21 157.73 16.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.6 t -86.86 112.33 21.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 t -170.31 139.53 1.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 t -136.55 145.2 44.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.85 129.72 9.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.425 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 t -66.31 89.35 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.805 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.0 p -48.73 -44.35 38.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.796 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.84 -159.91 49.9 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.6 ttt -157.84 118.26 3.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.98 158.98 15.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.3 p -117.0 121.43 41.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.49 112.58 22.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.2 m -70.13 149.37 47.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -130.37 71.66 0.49 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -108.13 133.44 52.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.751 0.31 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -150.13 166.83 28.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.98 -51.79 0.84 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.1 m -45.0 99.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.809 0.338 . . . . 0.0 111.168 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.447 HD11 ' CG ' ' A' ' 47' ' ' GLN . 2.1 tt -100.25 125.23 46.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.2 m -133.9 163.39 29.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.7 m -94.52 134.07 37.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.507 HD22 ' OG ' ' A' ' 66' ' ' SER . 16.1 mt -120.76 126.99 51.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -101.82 108.16 19.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -111.42 127.04 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.436 ' CB ' ' HE3' ' A' ' 83' ' ' LYS . . . -87.42 97.12 10.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.066 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.8 t -99.66 137.09 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -88.64 103.57 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 18.9 mtm -100.69 170.02 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.2 p -129.72 -48.63 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.7 p -140.16 175.29 9.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 31' ' ' SER . 9.2 tp-100 -43.73 -56.46 3.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' GLN . 14.9 t -34.57 -62.95 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.749 ' O ' HG23 ' A' ' 36' ' ' VAL . 17.6 m -40.46 -43.74 1.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.627 HG13 HG11 ' A' ' 51' ' ' VAL . 55.5 t -65.84 -41.01 89.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.125 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.64 -49.95 75.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.07 -54.89 35.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 32' ' ' CYS . 86.9 t -47.71 -45.65 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' GLN . 12.0 mtp-105 -66.77 -54.55 21.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -53.76 -32.02 50.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.1 p -67.4 -21.83 65.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.811 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.523 HD11 ' CD2' ' A' ' 73' ' ' LEU . 6.9 mt -134.73 20.99 3.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -81.11 116.97 21.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 42.58 36.92 2.47 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 44' ' ' ALA . 89.5 t -87.11 141.46 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 111.13 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.88 117.02 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.059 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.28 -49.73 1.04 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.441 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.8 t -69.6 123.55 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.447 ' CG ' HD11 ' A' ' 18' ' ' LEU . 5.7 pt20 -98.37 -25.69 14.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -164.98 159.81 18.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 59' ' ' LEU . 3.8 p -155.75 132.51 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -117.41 144.05 45.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.627 HG11 HG13 ' A' ' 33' ' ' VAL . 96.6 t -129.95 113.7 27.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -109.6 103.19 12.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.9 tp -70.16 -34.96 73.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -49.92 -45.38 50.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 56' ' ' GLN . 1.0 OUTLIER -114.91 27.93 9.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' ASP . 10.1 mm100 37.72 39.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.1 mmm -102.87 159.01 15.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.46 HG22 HG13 ' A' ' 51' ' ' VAL . 96.3 t -155.48 106.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.558 ' O ' HG23 ' A' ' 49' ' ' VAL . 5.1 mp -86.74 158.56 19.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 87.8 t -146.7 104.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -88.1 97.58 11.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.447 HG21 ' CG2' ' A' ' 69' ' ' VAL . 12.7 t -144.86 162.87 35.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.9 p -86.98 0.49 55.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.089 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.4 mt -90.29 152.88 46.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.622 0.725 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 144.77 54.87 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.328 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.507 ' OG ' HD22 ' A' ' 21' ' ' LEU . 66.4 m -44.18 -34.12 1.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -59.26 -51.57 69.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -60.47 -53.54 56.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.447 ' CG2' HG21 ' A' ' 62' ' ' THR . 77.3 t -56.73 -45.6 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -47.77 -42.71 26.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.96 90.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.09 -41.01 97.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.523 ' CD2' HD11 ' A' ' 40' ' ' LEU . 14.8 mt -67.69 -41.04 84.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -62.67 -25.16 68.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.77 -30.42 72.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 49.1 p -66.15 -24.47 66.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.83 0.347 . . . . 0.0 111.138 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.36 -18.59 10.15 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.528 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -92.89 171.17 9.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -106.33 120.99 43.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.86 111.24 23.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.2 t -101.38 110.22 27.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.2 tp -61.67 129.08 39.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.436 ' HE3' ' CB ' ' A' ' 24' ' ' ALA . 37.0 mmtt -102.55 -55.6 2.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -165.62 135.87 3.91 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 50.6 mtm -80.49 90.43 5.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 50.96 -159.0 1.95 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.5 t -152.37 147.77 26.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.85 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.1 103.71 0.29 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.507 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -102.09 117.82 35.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.336 . . . . 0.0 110.928 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.8 mt -48.67 -47.01 40.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -109.94 87.7 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -90.74 -54.03 4.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 m -103.43 165.36 11.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -120.86 63.85 0.49 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 -26.18 27.91 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.687 2.258 . . . . 0.0 112.393 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.3 p -148.56 116.69 6.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 61.8 m -84.49 134.93 34.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.7 p 39.12 41.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.391 . . . . 0.0 110.903 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.1 t -68.07 136.76 54.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.57 -176.73 14.52 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.479 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -159.61 173.78 15.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 110.853 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p -145.88 153.68 41.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.11 179.27 28.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.522 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.8 tpt -174.89 146.54 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.73 160.78 18.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -165.2 147.67 7.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -120.34 157.16 29.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.4 p -164.6 165.68 20.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -170.54 143.73 7.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -111.73 42.84 1.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.75 40.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.89 172.31 33.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.4 m -149.39 106.52 3.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 111.166 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.7 tp -68.78 121.47 16.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 m -133.59 161.96 33.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.463 ' CG2' HD23 ' A' ' 59' ' ' LEU . 11.3 m -91.68 136.33 33.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.568 ' CD1' HG21 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -131.05 116.7 18.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.456 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 14.7 mt-10 -88.15 141.03 28.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -143.48 117.6 9.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.29 96.59 4.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.058 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.0 t -97.55 135.44 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -84.13 102.85 12.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.1 mtm -102.79 169.17 8.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.5 p -132.23 -39.66 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.3 p -151.95 175.76 12.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' SER . 41.8 tp60 -42.35 -57.36 2.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' GLN . 25.7 t -37.56 -60.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.841 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.3 m -41.64 -38.56 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.713 HG13 HG11 ' A' ' 51' ' ' VAL . 67.7 t -69.71 -43.89 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -52.48 -58.75 5.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.63 -64.15 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 74.7 t -42.65 -50.85 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 41' ' ' GLN . 84.6 mtm180 -59.38 -55.91 28.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' C ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -50.47 -42.55 54.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.8 p -57.26 -23.35 47.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.615 ' O ' HG11 ' A' ' 46' ' ' VAL . 6.0 mt -134.1 23.79 3.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 37' ' ' ARG . 24.7 tp60 -86.33 108.39 18.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 50.06 34.84 24.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 44' ' ' ALA . 79.2 t -86.86 142.94 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.835 0.35 . . . . 0.0 111.101 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.75 109.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.03 -48.66 0.93 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.615 HG11 ' O ' ' A' ' 40' ' ' LEU . 41.4 t -67.69 122.69 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 111.092 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -97.87 -33.47 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 15.7 m-20 -158.05 161.78 38.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.5 p -153.77 124.94 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -110.09 133.95 52.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.713 HG11 HG13 ' A' ' 33' ' ' VAL . 39.2 t -122.0 107.82 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -100.2 101.54 12.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.493 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 19.2 tp -71.04 -29.74 65.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -59.02 -39.94 83.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -116.86 22.83 12.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 53' ' ' LEU . 61.8 mm-40 41.97 33.33 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.456 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 65.7 mmm -99.36 157.4 16.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.635 HG22 HG13 ' A' ' 51' ' ' VAL . 75.1 t -152.21 108.09 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.463 HD23 ' CG2' ' A' ' 20' ' ' THR . 4.9 mp -89.24 156.71 18.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.6 t -141.53 107.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -87.84 94.3 9.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.6 t -144.59 162.09 37.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.128 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.6 p -84.26 -6.22 59.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.613 HD22 ' OE1' ' A' ' 68' ' ' GLU . 15.5 mt -81.3 152.2 70.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.588 0.709 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 145.03 55.86 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.634 2.223 . . . . 0.0 112.389 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -39.96 -32.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -64.7 -52.99 54.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.613 ' OE1' HD22 ' A' ' 64' ' ' LEU . 5.1 tt0 -57.24 -39.7 76.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.651 ' HA ' HD12 ' A' ' 72' ' ' LEU . 62.1 t -70.54 -53.94 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -42.78 -48.08 5.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.96 89.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 69' ' ' VAL . 29.0 mt -56.07 -41.86 75.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.427 ' HG ' HD11 ' A' ' 40' ' ' LEU . 6.7 mt -66.07 -47.41 74.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -58.38 -25.94 62.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.93 -22.29 62.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 65.5 p -75.07 -23.77 58.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 111.18 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.61 -40.72 1.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -81.23 171.97 14.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -100.09 147.3 25.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -124.29 115.39 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.7 t -98.27 126.18 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.685 HD11 ' HB3' ' A' ' 85' ' ' MET . 25.5 tp -72.32 120.8 18.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -130.65 30.8 4.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 85' ' ' MET . . . -149.38 -82.29 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.457 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.685 ' HB3' HD11 ' A' ' 82' ' ' LEU . 10.8 tpt -34.34 104.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.351 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -173.28 -44.81 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.451 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.0 p -85.99 143.4 28.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.368 . . . . 0.0 110.874 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 120.21 171.32 14.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.429 ' OE1' ' NE2' ' A' ' 91' ' ' GLN . 5.1 pp0? -102.39 147.04 27.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.728 HD23 ' N ' ' A' ' 91' ' ' GLN . 2.9 tt -143.22 153.54 42.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.728 ' N ' HD23 ' A' ' 90' ' ' LEU . 2.3 mp0 -111.61 96.95 6.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 41.8 p-10 -71.79 155.71 40.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.3 p -120.06 -23.49 6.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.47 165.0 15.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -179.82 3.17 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.737 2.292 . . . . 0.0 112.325 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.4 m -147.5 129.17 15.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.822 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 t -154.18 125.18 7.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m 63.19 42.17 7.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.858 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 m -105.36 116.07 31.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.16 -154.35 6.12 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 m -72.28 109.49 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 110.852 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.2 p -57.66 -59.54 5.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.61 -132.59 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.479 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.427 ' O ' ' C ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -126.29 90.88 3.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' MET . . . -35.72 107.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -150.56 125.91 10.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -109.76 121.83 46.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.3 m -76.2 115.76 16.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -170.65 84.35 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.441 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -47.71 138.5 8.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -96.12 143.71 27.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.29 136.43 2.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.5 m -155.25 125.19 6.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.798 0.332 . . . . 0.0 111.175 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.901 HD11 ' HG2' ' A' ' 47' ' ' GLN . 2.2 tt -54.15 120.0 5.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 p -132.93 143.81 49.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.484 ' C ' HD13 ' A' ' 21' ' ' LEU . 87.0 m -98.33 120.16 38.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.19 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.675 ' N ' HD22 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -113.82 120.36 40.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.406 ' HB3' ' HE1' ' A' ' 57' ' ' MET . 8.4 mt-10 -89.11 111.0 21.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.541 ' CE2' ' HB2' ' A' ' 21' ' ' LEU . 77.6 m-85 -113.49 117.59 32.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.51 100.48 8.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.2 t -97.21 136.4 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -86.19 101.36 12.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.841 ' SD ' HG22 ' A' ' 33' ' ' VAL . 24.3 mtm -106.43 151.15 25.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.7 p -122.15 -21.63 5.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.124 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.3 p -152.39 -177.33 6.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 33' ' ' VAL . 2.8 mp0 -61.2 -55.4 32.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' GLN . 17.9 t -34.27 -64.31 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.869 ' O ' HG23 ' A' ' 36' ' ' VAL . 30.1 m -44.25 -39.49 4.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.841 HG22 ' SD ' ' A' ' 27' ' ' MET . 77.9 t -73.01 -42.42 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.73 -43.66 85.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.14 -37.79 81.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 32' ' ' CYS . 80.8 t -61.33 -45.22 99.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' GLN . 41.9 mtp180 -67.37 -57.89 5.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HD3' ' C ' ' A' ' 38' ' ' LYS . 4.2 tmtt? -51.59 -36.37 45.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.414 ' N ' ' HD3' ' A' ' 38' ' ' LYS . 13.5 m -57.11 -31.3 65.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.468 ' O ' HG11 ' A' ' 46' ' ' VAL . 5.6 mt -129.77 19.99 5.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 37' ' ' ARG . 20.0 tt0 -79.11 113.54 17.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 50.65 32.9 25.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.3 t -90.56 144.12 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.785 0.326 . . . . 0.0 111.168 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -38.66 135.37 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.86 -45.75 3.53 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.468 HG11 ' O ' ' A' ' 40' ' ' LEU . 96.5 t -73.6 116.66 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.765 0.317 . . . . 0.0 111.159 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.901 ' HG2' HD11 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -93.65 -29.69 15.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -159.32 157.24 30.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 59' ' ' LEU . 84.9 t -155.04 133.34 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -120.89 132.48 54.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.709 HG21 HG13 ' A' ' 33' ' ' VAL . 8.1 p -121.45 102.17 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -97.5 108.36 21.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.2 tp -71.19 -37.75 72.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.79 -60.09 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 56' ' ' GLN . 10.0 m-20 -95.35 25.84 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 55' ' ' ASP . 8.5 mm-40 35.77 38.1 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.406 ' HE1' ' HB3' ' A' ' 22' ' ' GLU . 45.6 mmm -103.96 154.79 19.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.643 HG22 HG23 ' A' ' 51' ' ' VAL . 57.3 t -149.92 106.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.518 ' O ' HG13 ' A' ' 49' ' ' VAL . 5.2 mp -87.02 159.79 18.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.7 t -150.5 104.96 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.438 ' HB3' HD21 ' A' ' 18' ' ' LEU . 1.7 m80 -88.57 90.03 8.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.45 HG21 ' CG2' ' A' ' 69' ' ' VAL . 7.5 t -135.46 158.0 45.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.117 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.9 p -77.89 -14.35 59.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.7 mt -74.42 152.45 87.75 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.565 0.698 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 67' ' ' GLN . 54.1 Cg_endo -69.74 135.6 30.92 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' PRO . 10.1 t -35.94 -30.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 65' ' ' PRO . 5.8 tp60 -62.61 -52.48 63.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 65' ' ' PRO . 1.7 tp10 -58.49 -48.23 81.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.45 ' CG2' HG21 ' A' ' 62' ' ' THR . 30.6 t -61.91 -50.37 80.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -45.78 -32.88 2.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.54 -41.02 61.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 78.7 mt -60.11 -36.31 77.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.5 mt -70.21 -48.76 55.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.87 -19.12 49.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.75 -21.62 76.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.6 p -76.03 -18.65 59.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 111.158 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.01 -42.82 1.5 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.579 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.2 ptp85 -80.76 172.46 13.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -94.48 159.36 15.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -135.04 110.31 8.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.052 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.1 t -98.67 134.91 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.5 tp -84.7 119.4 25.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -87.98 -50.2 6.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -179.75 103.14 0.17 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.405 ' SD ' ' N ' ' A' ' 86' ' ' GLY . 4.6 ppp? -69.13 -43.27 74.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 0.0 110.839 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.405 ' N ' ' SD ' ' A' ' 85' ' ' MET . . . -74.05 -69.45 1.39 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.6 t 61.36 39.67 15.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.33 162.99 19.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -98.53 111.32 23.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.43 ' HG ' ' N ' ' A' ' 91' ' ' GLN . 23.3 tp -67.58 154.43 41.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.43 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 20.4 pt20 -103.04 157.13 17.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -115.07 109.03 17.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.3 m -54.6 -50.98 66.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 165.84 -167.47 39.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 2.29 3.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.645 2.23 . . . . 0.0 112.362 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.5 t -83.97 156.56 22.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.7 m -57.1 94.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.522 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 t -129.52 161.98 29.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 t -146.57 177.03 9.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.79 107.36 0.35 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.0 p -125.97 166.59 16.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 t -53.57 144.74 16.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.19 -44.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.52 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.8 tmm? -156.27 108.69 2.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.773 0.32 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.16 101.65 1.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.8 p -60.33 145.23 48.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -98.36 156.37 16.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.3 m -119.44 -57.58 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 155.71 155.25 7.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.426 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.412 ' O ' ' CG ' ' A' ' 14' ' ' ASN . 37.6 t30 -90.6 40.64 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.768 0.318 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -40.77 146.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.91 125.97 0.9 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.5 m -133.58 127.51 33.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.839 0.352 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.414 HD11 ' HB3' ' A' ' 47' ' ' GLN . 1.6 tt -84.69 126.81 33.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 74.6 m -134.19 157.54 45.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.2 m -92.1 130.14 37.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.765 ' CD1' HG21 ' A' ' 69' ' ' VAL . 12.8 mt -116.4 124.04 49.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.961 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -99.42 119.56 38.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 78.6 m-85 -122.46 131.68 53.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.29 98.03 10.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.9 t -99.77 145.39 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -88.67 117.07 27.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.519 ' HB2' HD12 ' A' ' 53' ' ' LEU . 21.3 mtm -129.21 156.9 43.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.8 p -127.89 -48.82 1.36 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 3.4 t -122.08 157.79 30.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 31' ' ' SER . 36.7 tp60 -41.32 -40.48 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 30' ' ' GLN . 6.3 m -34.75 -49.63 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.0 m -61.05 -52.59 64.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.474 HG13 ' CG1' ' A' ' 51' ' ' VAL . 82.9 t -52.7 -32.94 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -71.3 -51.04 26.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.02 -55.2 35.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.2 t -45.14 -49.79 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.432 ' HD2' ' CG1' ' A' ' 51' ' ' VAL . 52.2 mtp85 -69.44 -55.3 10.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -53.01 -25.06 10.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.8 t -72.76 -35.84 67.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mt -120.47 28.99 7.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.65 106.31 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 38.84 44.36 1.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 44' ' ' ALA . 48.0 t -85.46 139.23 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -33.93 117.38 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.86 -47.99 0.99 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 42.8 t -80.69 117.05 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.337 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 5.4 pt20 -85.14 -29.08 25.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 5.4 m-20 -159.18 164.09 35.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.3 p -155.73 128.71 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -116.95 132.04 56.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.474 ' CG1' HG13 ' A' ' 33' ' ' VAL . 3.3 p -123.79 112.75 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.094 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -105.64 108.69 20.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.519 HD12 ' HB2' ' A' ' 27' ' ' MET . 13.0 tp -76.41 -25.83 54.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -67.67 -45.45 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 56' ' ' GLN . 2.0 m-20 -105.52 26.46 9.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 55' ' ' ASP . 26.0 mm-40 34.8 35.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 55' ' ' ASP . 46.7 mmm -106.36 159.32 16.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.471 HG22 HG23 ' A' ' 51' ' ' VAL . 83.9 t -154.23 107.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.36 162.1 17.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.1 t -151.21 107.43 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -90.78 97.41 11.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.462 HG21 HG22 ' A' ' 69' ' ' VAL . 14.4 t -143.18 162.94 34.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.0 p -88.44 1.23 55.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mt -85.06 152.25 58.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.626 0.727 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.8 Cg_endo -69.75 139.16 39.6 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.646 2.231 . . . . 0.0 112.397 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 65' ' ' PRO . 17.0 t -34.52 -63.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' SER . 9.6 pt20 -37.5 -44.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 65' ' ' PRO . 10.5 tp10 -64.44 -59.8 3.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.765 HG21 ' CD1' ' A' ' 21' ' ' LEU . 66.4 t -50.26 -40.14 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -51.72 -35.46 43.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.56 -41.44 54.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 69' ' ' VAL . 21.1 mt -62.0 -20.9 64.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 35.7 mt -91.69 -42.91 9.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -62.93 -18.78 63.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.78 -26.55 71.2 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 28.8 p -69.95 -8.47 49.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 111.128 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.77 8.57 60.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -115.11 163.55 15.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -97.5 120.37 37.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -105.31 120.46 41.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.4 t -105.58 104.85 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.422 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 20.7 tp -57.97 118.72 5.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -94.6 -51.99 4.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -141.19 123.47 2.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.6 ttp -93.34 -56.12 3.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -179.04 98.73 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.3 p -151.37 130.84 12.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.896 0.379 . . . . 0.0 110.88 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -68.0 -148.98 0.18 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 90' ' ' LEU . 47.2 tt0 -105.3 105.95 16.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 110.961 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.454 HD12 ' H ' ' A' ' 91' ' ' GLN . 35.1 tp -34.67 148.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.454 ' H ' HD12 ' A' ' 90' ' ' LEU . 25.4 pt20 -129.28 155.11 46.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.52 158.99 11.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 p -165.72 129.07 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.48 -171.07 20.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 156.76 62.43 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.637 2.225 . . . . 0.0 112.36 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.7 t -157.78 173.01 17.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.6 t -123.59 -56.87 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -139.83 127.39 21.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.854 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -42.28 -45.73 4.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.35 69.77 0.21 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -67.63 152.06 46.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.381 . . . . 0.0 110.843 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -111.79 171.11 7.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.788 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.59 76.57 0.41 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.531 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.6 mtp -51.05 103.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.763 0.316 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.64 132.37 53.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.8 t -109.8 153.47 24.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -164.26 167.18 20.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.0 t -132.92 146.72 52.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.17 -173.41 46.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -158.75 143.74 16.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -144.34 155.06 43.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -149.5 -140.67 3.3 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -157.4 122.25 4.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 111.12 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.596 HD11 ' HG2' ' A' ' 47' ' ' GLN . 1.4 tt -76.49 114.86 15.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.953 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 97.7 m -134.34 149.79 50.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.1 m -88.9 120.26 30.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.482 HD23 ' SD ' ' A' ' 85' ' ' MET . 3.0 mt -107.27 127.18 53.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.632 ' O ' HD12 ' A' ' 82' ' ' LEU . 11.1 mt-10 -93.43 132.2 37.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 58' ' ' VAL . 51.0 m-85 -136.26 120.82 18.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.426 ' HB2' ' HG3' ' A' ' 83' ' ' LYS . . . -90.13 95.02 10.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.435 ' CG2' HG21 ' A' ' 58' ' ' VAL . 15.2 t -99.98 143.94 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.165 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -87.06 127.19 35.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.445 ' HB2' HD12 ' A' ' 53' ' ' LEU . 20.8 mtm -134.55 154.15 51.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.8 p -122.85 -62.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.456 ' O ' ' C ' ' A' ' 30' ' ' GLN . 1.7 t -108.42 148.59 29.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 29' ' ' CYS . 11.9 tp60 -33.65 -42.34 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' GLN . 30.8 p -34.11 -67.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.929 ' O ' HG23 ' A' ' 36' ' ' VAL . 58.4 m -38.73 -44.85 1.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.537 HG13 ' CG1' ' A' ' 51' ' ' VAL . 93.7 t -64.98 -41.07 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' SER . 3.2 t0 -57.54 -50.52 72.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.599 ' HB3' HH21 ' A' ' 78' ' ' ARG . . . -67.73 -55.04 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.929 HG23 ' O ' ' A' ' 32' ' ' CYS . 85.7 t -39.7 -38.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' GLN . 59.3 mtp180 -74.89 -53.51 8.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -53.42 -35.53 60.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 92.7 p -59.74 -31.52 69.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mt -127.14 20.11 6.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 37' ' ' ARG . 11.4 tt0 -73.95 108.63 6.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 49.28 41.02 30.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 92.9 t -92.09 141.32 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -37.47 145.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.61 -52.21 3.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.401 HG11 ' CG2' ' A' ' 49' ' ' VAL . 94.1 t -66.52 130.13 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.342 . . . . 0.0 111.106 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.596 ' HG2' HD11 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -100.64 -32.47 10.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.481 ' HB2' ' NE2' ' A' ' 47' ' ' GLN . 2.6 t70 -158.04 154.93 28.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.401 ' CG2' HG11 ' A' ' 46' ' ' VAL . 97.2 t -146.46 129.15 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -126.85 112.46 15.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.537 ' CG1' HG13 ' A' ' 33' ' ' VAL . 7.3 p -103.34 127.33 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -116.18 115.65 26.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.445 HD12 ' HB2' ' A' ' 27' ' ' MET . 7.4 tp -84.66 -23.6 29.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -68.61 -53.08 24.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' GLN . 7.5 m-20 -97.78 25.22 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' ASP . 3.9 mm-40 34.38 43.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 40.9 mmm -111.04 167.21 10.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 23' ' ' PHE . 95.3 t -155.54 109.99 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -103.32 140.6 37.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 99.1 t -136.19 106.46 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -81.34 98.1 8.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.45 HG21 ' CG2' ' A' ' 69' ' ' VAL . 6.8 t -145.19 161.76 38.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.0 p -87.21 -7.18 58.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.461 HD13 ' CD ' ' A' ' 68' ' ' GLU . 6.0 mt -78.17 152.57 79.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 110.912 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.8 Cg_endo -69.8 139.38 39.92 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.332 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' PRO . 71.2 m -34.38 -57.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -38.53 -46.44 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.461 ' CD ' HD13 ' A' ' 64' ' ' LEU . 16.2 tm-20 -61.18 -62.87 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.45 ' CG2' HG21 ' A' ' 62' ' ' THR . 74.2 t -48.09 -44.56 12.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -46.85 -43.4 18.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.63 94.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.42 -36.67 78.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.5 mt -76.57 -44.48 34.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -61.45 -12.93 16.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.4 -28.09 62.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 72.7 p -77.24 -1.19 28.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 111.148 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.29 27.53 30.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.449 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.599 HH21 ' HB3' ' A' ' 35' ' ' ALA . 18.3 mtt-85 -125.86 163.61 22.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -102.03 121.48 42.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -100.79 124.03 45.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.4 t -115.92 107.88 23.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 22' ' ' GLU . 17.4 tp -60.88 131.85 52.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.426 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 40.7 mmtt -121.16 -47.67 2.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.42 -116.96 0.85 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.492 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.484 ' HB2' HD11 ' A' ' 82' ' ' LEU . 7.8 tpt 44.27 48.0 7.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.71 131.74 0.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 t -164.8 167.26 19.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.914 0.387 . . . . 0.0 110.825 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -101.7 88.41 0.7 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -105.49 114.22 28.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.842 0.354 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.514 HD23 ' N ' ' A' ' 90' ' ' LEU . 2.1 pt? -167.83 167.99 12.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -171.21 125.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -118.39 128.37 54.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.7 t -152.45 175.83 12.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 151.34 148.22 4.75 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 119.92 6.79 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.738 2.292 . . . . 0.0 112.332 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 99.3 p -77.71 93.21 4.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.809 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.0 m -125.51 138.62 53.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -137.7 138.16 39.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -150.83 169.02 22.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.63 115.94 0.88 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 6' ' ' SER . 4.1 t -92.08 124.01 35.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 5' ' ' SER . 18.6 m -38.27 -46.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.842 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.02 82.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.0 mtp -140.98 166.05 25.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -158.21 165.56 34.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.067 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.4 p -156.6 160.12 39.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -122.32 126.05 47.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.1 p -106.66 168.48 9.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -144.39 -169.53 13.17 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -120.56 -54.22 2.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 39.77 37.51 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.53 80.69 1.38 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.8 m -126.4 116.57 21.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 111.142 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.601 HD11 ' HG2' ' A' ' 47' ' ' GLN . 4.2 tt -72.92 113.36 9.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 m -130.46 154.1 48.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.48 HG23 ' CD2' ' A' ' 61' ' ' HIS . 58.7 m -93.06 105.8 17.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.452 HD22 ' HB2' ' A' ' 66' ' ' SER . 5.5 mt -84.98 125.28 32.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.964 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.583 ' HG3' HD13 ' A' ' 59' ' ' LEU . 16.9 mt-10 -95.48 128.81 42.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -131.72 147.77 52.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.681 ' HB3' ' HB ' ' A' ' 81' ' ' VAL . . . -103.93 96.47 6.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.3 t -102.54 135.97 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 27' ' ' MET . 1.1 tm0? -92.57 113.91 26.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.427 ' O ' ' NE2' ' A' ' 26' ' ' GLN . 14.8 mtm -115.0 169.34 9.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.4 p -128.98 -45.2 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.1 p -138.34 -175.87 4.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 31' ' ' SER . 14.1 tp60 -56.34 -49.47 74.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 30' ' ' GLN . 50.8 m -34.23 -68.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 70.9 m -38.65 -53.02 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.579 HG13 HG11 ' A' ' 51' ' ' VAL . 94.2 t -56.19 -48.49 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -47.77 -51.48 22.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.46 -58.85 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.7 t -42.49 -38.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 41' ' ' GLN . 88.8 mtt180 -72.46 -53.19 12.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -57.3 -30.06 64.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.446 ' HB2' ' CG2' ' A' ' 76' ' ' THR . 28.9 t -65.02 -22.0 66.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.799 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.617 ' CB ' HG21 ' A' ' 49' ' ' VAL . 7.4 mt -132.89 10.55 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 37' ' ' ARG . 2.5 tm0? -75.42 109.86 9.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 58.36 46.2 93.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.3 t -104.06 136.64 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 111.086 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -37.67 141.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.88 -49.17 3.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.6 t -65.41 137.6 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.601 ' HG2' HD11 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -113.19 -30.42 6.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -162.96 152.37 15.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.617 HG21 ' CB ' ' A' ' 40' ' ' LEU . 96.6 t -141.8 114.54 4.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -99.95 119.96 39.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.647 HG13 HG22 ' A' ' 58' ' ' VAL . 29.9 t -109.41 109.82 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -101.16 103.84 14.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.1 tp -76.46 -29.39 56.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.39 -52.05 67.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -102.07 25.52 8.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 39.7 38.85 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 37.3 mmm -109.87 160.75 16.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.647 HG22 HG13 ' A' ' 51' ' ' VAL . 92.1 t -155.42 107.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.876 HD23 ' N ' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -94.63 149.99 20.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.8 t -133.46 109.03 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.48 ' CD2' HG23 ' A' ' 20' ' ' THR . 4.9 m170 -85.04 94.5 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.0 t -143.7 163.54 32.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.7 p -85.1 -10.58 56.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.203 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.9 mt -78.38 152.2 78.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.666 0.746 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 151.99 69.06 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.452 ' HB2' HD22 ' A' ' 21' ' ' LEU . 2.6 t -48.04 -57.59 5.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -41.16 -39.89 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -67.77 -63.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 72' ' ' LEU . 61.7 t -48.77 -47.35 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 69' ' ' VAL . 19.7 tt0 -36.49 -49.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -43.48 95.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 69' ' ' VAL . 78.9 mt -56.58 -41.46 76.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.7 mt -72.72 -49.03 33.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -56.02 -25.63 45.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.7 -34.09 75.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.534 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.446 ' CG2' ' HB2' ' A' ' 39' ' ' SER . 78.9 p -66.7 -23.03 66.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.854 0.359 . . . . 0.0 111.12 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.61 32.07 4.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.8 mtp85 -128.54 163.83 24.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.76 0.314 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -96.77 109.79 22.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.1 113.86 25.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.681 ' HB ' ' HB3' ' A' ' 24' ' ' ALA . 65.8 t -104.52 104.6 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.847 HD11 ' HG2' ' A' ' 85' ' ' MET . 25.1 tp -54.16 125.02 17.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.566 ' CE ' ' HB2' ' A' ' 24' ' ' ALA . 43.4 mmtt -88.8 -60.21 2.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -163.57 35.79 0.31 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.847 ' HG2' HD11 ' A' ' 82' ' ' LEU . 11.9 mtm 35.66 31.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.858 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 84' ' ' GLY . . . 92.63 49.58 2.71 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.2 t -86.66 -51.82 5.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.933 0.397 . . . . 0.0 110.846 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 111.62 69.62 0.57 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.54 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -92.25 87.37 6.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 25.1 tp -67.16 124.57 23.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -81.73 172.72 13.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -169.48 150.29 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 94.8 p -118.43 171.84 7.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.823 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 156.34 82.91 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 124.92 11.56 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.7 t -158.79 146.25 17.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.8 t -161.22 145.42 13.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.504 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 m -144.48 164.78 29.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -144.64 109.4 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.872 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.42 167.58 12.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.4 p -169.54 166.42 10.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 110.851 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.7 m -133.06 161.23 34.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.24 -176.34 21.64 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.529 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -153.46 115.54 4.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.353 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.55 108.58 4.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.072 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.5 p -150.12 112.61 4.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -123.32 99.5 6.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 m -125.35 126.86 45.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.41 -159.16 32.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -116.21 135.25 54.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.736 0.303 . . . . 0.0 110.909 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -108.97 43.59 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.24 80.18 1.28 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 17' ' ' THR . 9.6 t -142.47 122.37 13.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 111.145 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.484 HD21 ' NE2' ' A' ' 47' ' ' GLN . 53.8 tp -93.19 123.09 36.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 51.7 m -134.41 151.82 51.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.4 m -90.12 124.42 34.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.648 ' CD1' HG21 ' A' ' 69' ' ' VAL . 4.8 mt -112.04 121.69 45.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.462 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 8.7 mt-10 -101.53 111.84 24.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.438 ' CE1' HD13 ' A' ' 82' ' ' LEU . 96.6 m-85 -116.1 124.17 49.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.61 99.41 10.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.8 t -100.19 144.24 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -90.53 112.54 24.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 21.1 mtm -120.87 162.17 20.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.2 p -124.6 -57.33 1.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 30' ' ' GLN . 17.5 t -125.49 162.04 25.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.466 ' C ' ' O ' ' A' ' 29' ' ' CYS . 17.2 tp60 -32.94 -49.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 30' ' ' GLN . 13.2 t -33.03 -69.94 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 89.2 m -40.76 -40.81 1.41 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.651 HG13 HG11 ' A' ' 51' ' ' VAL . 90.7 t -71.84 -40.05 68.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -57.71 -34.84 69.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.05 -44.8 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.1 t -53.2 -46.53 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 41' ' ' GLN . 70.3 mtp180 -68.23 -57.02 6.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -53.2 -30.56 38.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.6 m -61.84 -37.67 85.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mt -123.93 20.04 9.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 37' ' ' ARG . 1.8 tt0 -71.8 112.86 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 43.94 40.74 5.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.6 t -91.99 145.21 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 111.116 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.93 124.0 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.7 -47.94 1.28 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.5 t -74.75 135.28 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.484 ' NE2' HD21 ' A' ' 18' ' ' LEU . 3.8 pt20 -106.02 -28.74 10.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.474 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 5.6 t70 -161.4 166.5 27.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 48' ' ' ASP . 42.2 t -156.93 118.76 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -107.17 123.15 47.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.651 HG11 HG13 ' A' ' 33' ' ' VAL . 53.3 t -105.57 133.41 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -125.7 106.25 9.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.6 tp -80.07 -28.7 39.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -60.55 -43.93 96.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -111.26 21.06 16.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 40.84 41.25 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.462 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 61.2 mmm -106.67 151.86 24.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.0 t -139.44 108.12 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.0 mp -91.31 158.8 16.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.1 t -152.74 104.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -87.44 99.19 11.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.416 HG21 ' CG2' ' A' ' 69' ' ' VAL . 9.6 t -143.7 161.94 37.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.2 p -87.28 4.94 40.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.157 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.4 mt -90.48 152.5 45.4 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.611 0.72 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.1 Cg_endo -69.71 140.03 41.85 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.357 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' PRO . 68.0 p -33.82 -64.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 66' ' ' SER . 14.6 pt20 -34.63 -46.71 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.34 -61.21 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.648 HG21 ' CD1' ' A' ' 21' ' ' LEU . 61.1 t -51.58 -47.0 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -47.64 -40.43 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.8 95.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.36 -30.87 71.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.4 mt -77.03 -36.26 56.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -69.56 -21.77 63.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.53 -29.85 75.86 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 58.6 p -66.73 -21.52 66.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 111.091 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.83 -10.48 34.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.06 172.07 8.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.742 0.306 . . . . 0.0 110.846 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -104.54 110.25 22.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.8 116.07 28.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.3 t -103.47 122.21 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.438 HD13 ' CE1' ' A' ' 23' ' ' PHE . 63.9 tp -72.46 121.51 19.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -99.87 -41.67 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 178.27 164.05 30.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.637 ' CG ' HD23 ' A' ' 21' ' ' LEU . 1.4 mpp? -111.55 41.01 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 132.63 63.67 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.4 m -138.11 125.04 21.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.924 0.393 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.31 -152.64 24.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -141.47 119.84 12.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.878 0.37 . . . . 0.0 110.927 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.6 tp -131.0 129.36 41.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -77.31 129.62 36.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -153.96 171.52 18.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 82.4 p -129.6 -39.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 106.5 144.28 11.86 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 178.25 4.74 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.352 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 97' ' ' SER . 7.5 t -157.12 168.42 27.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.907 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 96' ' ' SER . 1.8 m 37.1 42.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.467 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 m -69.91 171.83 8.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.883 0.373 . . . . 0.0 110.84 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.0 p -132.64 -51.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.74 122.07 1.03 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.528 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 m -112.04 154.33 25.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.844 0.354 . . . . 0.0 110.875 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -164.73 117.29 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.76 105.6 0.22 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.446 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.8 ttt -161.71 113.07 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.07 145.41 23.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.076 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 m -124.18 171.15 10.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.19 151.5 31.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 m -126.71 144.41 50.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.45 88.33 0.19 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.9 p30 -103.28 42.15 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.854 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -48.74 -49.5 38.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 58.62 116.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 m -154.23 113.18 3.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.36 . . . . 0.0 111.157 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.1 tp -76.46 116.7 17.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.1 m -134.29 159.2 41.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.4 m -88.75 133.91 34.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 66' ' ' SER . 4.2 mt -126.58 109.87 12.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.468 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 10.8 mt-10 -84.58 129.52 34.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' A' ' 70' ' ' GLN . 57.0 m-85 -133.18 119.14 19.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.68 97.04 5.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.5 t -98.8 137.74 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -70.54 129.19 38.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.448 ' HB2' HD12 ' A' ' 53' ' ' LEU . 15.7 mtm -143.89 140.49 29.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 70.0 p -122.74 -24.66 4.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 1.9 t -146.2 159.21 43.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.467 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 34.6 tp60 -41.78 -42.17 2.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 34' ' ' ASP . 5.0 t -34.43 -70.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.99 ' O ' HG23 ' A' ' 36' ' ' VAL . 70.7 m -37.79 -44.21 0.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.687 HG13 HG11 ' A' ' 51' ' ' VAL . 41.8 t -62.18 -41.96 93.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.9 OUTLIER -57.35 -44.37 84.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.52 -43.23 56.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.99 HG23 ' O ' ' A' ' 32' ' ' CYS . 94.4 t -49.36 -44.63 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 41' ' ' GLN . 34.7 mtp85 -66.61 -55.88 13.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.425 ' C ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -51.02 -44.71 61.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 p -48.69 -29.49 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.437 ' O ' HG11 ' A' ' 46' ' ' VAL . 4.3 mt -132.69 20.66 4.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 37' ' ' ARG . 7.0 tt0 -74.75 119.2 18.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 39.35 37.56 0.78 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.8 t -86.58 143.63 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 111.165 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.33 108.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 111.0 -48.96 0.88 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.437 HG11 ' O ' ' A' ' 40' ' ' LEU . 41.5 t -65.4 125.77 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 0.0 111.175 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -102.57 -32.17 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 8.6 t0 -156.69 157.41 35.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.9 p -153.37 120.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -110.61 131.37 55.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.687 HG11 HG13 ' A' ' 33' ' ' VAL . 39.2 t -116.95 125.78 74.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -121.97 100.57 7.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.448 HD12 ' HB2' ' A' ' 27' ' ' MET . 8.0 tp -71.07 -25.98 62.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -60.62 -41.74 95.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 56' ' ' GLN . 1.4 m-20 -112.61 24.07 12.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 55' ' ' ASP . 16.8 mm-40 37.12 44.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 60.4 mmm -112.86 159.38 19.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.5 t -146.51 105.87 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.0 mp -86.96 159.0 19.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.404 ' CG2' HD13 ' A' ' 40' ' ' LEU . 80.1 t -152.62 107.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -89.77 93.58 9.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.0 t -142.2 163.48 32.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.2 p -84.86 -7.46 59.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.0 mt -77.88 152.31 79.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.624 0.726 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.5 Cg_endo -69.75 139.7 40.88 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.686 2.258 . . . . 0.0 112.312 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.581 ' HB3' HD22 ' A' ' 21' ' ' LEU . 35.3 p -34.19 -61.12 0.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 66' ' ' SER . 8.4 tt0 -35.04 -52.14 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -56.79 -61.77 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.462 ' HA ' HD12 ' A' ' 72' ' ' LEU . 98.5 t -49.5 -38.2 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.479 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 43.7 tt0 -64.02 -31.52 72.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.81 -32.93 63.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 69' ' ' VAL . 19.1 mt -72.51 -37.07 68.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.9 mt -66.13 -49.23 68.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -61.39 -23.82 66.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.01 -16.91 62.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.533 HG21 ' NH2' ' A' ' 78' ' ' ARG . 73.0 p -76.79 -24.1 52.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.847 0.356 . . . . 0.0 111.193 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.92 -36.77 3.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.62 ' HE ' HG22 ' A' ' 36' ' ' VAL . 6.6 ptt-85 -80.9 172.04 14.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.854 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -86.37 148.83 25.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.16 117.86 9.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.8 t -119.45 145.65 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.445 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 10.8 tp -82.75 137.51 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -115.12 -43.41 3.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -163.55 143.33 8.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.552 ' HB2' HD23 ' A' ' 21' ' ' LEU . 10.3 ptm -135.76 139.04 43.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.847 0.356 . . . . 0.0 110.831 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 42.31 42.73 4.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -158.6 154.08 25.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -165.72 102.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -109.95 127.03 54.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.6 tp -152.85 135.86 15.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 92' ' ' ASN . 36.2 tp60 -168.56 149.64 4.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.416 ' N ' ' HG3' ' A' ' 91' ' ' GLN . 4.2 m120 -141.74 155.12 45.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.2 p -164.44 149.32 9.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 168.72 84.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -178.36 2.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.379 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.1 t -160.58 143.2 13.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 85.2 p -108.77 175.37 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.9 p -152.7 156.18 38.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.6 p -169.73 176.93 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.6 164.31 32.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -157.21 174.42 15.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 110.812 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -168.07 172.57 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.832 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.1 87.43 0.16 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.4 ptp -127.08 137.15 52.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.772 0.32 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.07 146.54 27.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.2 p -101.28 -54.81 2.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -153.14 155.05 36.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.3 p -156.33 168.5 27.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.82 132.11 2.46 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -136.79 136.08 38.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.798 0.332 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -86.43 172.35 10.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.74 103.93 1.73 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 t -133.89 117.38 16.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.813 0.339 . . . . 0.0 111.129 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 tt -82.36 118.78 23.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.9 m -134.22 160.26 38.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.643 ' CG2' HD23 ' A' ' 59' ' ' LEU . 93.8 m -93.62 129.61 39.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.509 HD23 ' HB2' ' A' ' 85' ' ' MET . 2.1 mt -119.31 111.29 18.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.44 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 28.3 mt-10 -88.27 127.4 35.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.497 ' O ' ' N ' ' A' ' 58' ' ' VAL . 70.9 m-85 -132.35 128.84 38.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.511 ' HB2' ' HE3' ' A' ' 83' ' ' LYS . . . -85.25 94.57 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 78' ' ' ARG . 54.3 t -98.45 148.81 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -79.15 134.68 36.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 29.9 mtm -148.07 122.29 9.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.2 -34.82 10.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' GLN . 83.6 m -153.23 177.29 11.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.468 ' O ' ' C ' ' A' ' 31' ' ' SER . 38.5 tp60 -37.93 -56.8 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 30' ' ' GLN . 11.9 t -32.71 -70.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.535 ' O ' HG23 ' A' ' 36' ' ' VAL . 21.9 m -37.9 -46.39 0.95 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.828 HG13 HG11 ' A' ' 51' ' ' VAL . 99.7 t -65.27 -42.25 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 31' ' ' SER . 87.8 m-20 -53.0 -50.7 63.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.3 -48.71 80.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 32' ' ' CYS . 96.5 t -51.99 -50.54 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 41' ' ' GLN . 46.3 mtp180 -63.21 -58.63 6.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -51.27 -37.13 45.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 p -58.71 -34.46 71.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 mt -125.9 24.6 7.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 37' ' ' ARG . 5.1 tt0 -80.83 116.85 21.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.53 42.12 7.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 44' ' ' ALA . 78.0 t -96.12 133.95 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.52 124.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.76 -55.23 1.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.8 126.09 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.741 0.305 . . . . 0.0 111.194 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -100.53 -34.95 9.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 2.8 t70 -153.23 162.11 41.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 49' ' ' VAL . 2.8 p -156.99 111.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -99.33 134.13 42.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.828 HG11 HG13 ' A' ' 33' ' ' VAL . 62.0 t -116.91 111.82 36.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -103.89 108.35 19.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.3 tp -76.81 -33.49 57.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -52.22 -44.55 64.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.54 23.91 12.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 38.82 42.85 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.44 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 62.3 mmm -102.3 162.54 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.943 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' PHE . 62.8 t -148.3 105.15 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.643 HD23 ' CG2' ' A' ' 20' ' ' THR . 3.7 mp -88.24 151.32 22.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.6 t -141.47 105.28 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -86.24 90.8 8.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.411 HG21 ' CG2' ' A' ' 69' ' ' VAL . 6.4 t -138.88 163.53 32.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.6 p -91.26 9.61 30.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.7 mt -98.72 152.53 37.9 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.606 0.717 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.0 Cg_endo -69.68 145.23 56.95 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.715 2.276 . . . . 0.0 112.347 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' GLN . 67.0 m -36.33 -65.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' SER . 13.9 pt20 -34.53 -43.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 6.1 tt0 -62.0 -53.59 53.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.616 ' HA ' HD12 ' A' ' 72' ' ' LEU . 93.0 t -66.36 -56.53 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 69' ' ' VAL . 58.3 tt0 -36.93 -52.68 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.9 -47.15 81.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.068 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 69' ' ' VAL . 47.7 mt -54.77 -37.59 66.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.0 mt -67.1 -51.08 58.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -56.62 -23.02 38.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.51 -25.61 55.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.51 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 71.5 p -72.43 -17.65 61.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 111.093 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.7 -31.87 5.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.524 ' CZ ' HG22 ' A' ' 36' ' ' VAL . 4.9 ptt85 -80.79 172.8 13.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.745 0.307 . . . . 0.0 110.866 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -107.69 132.18 53.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -104.25 132.18 50.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.5 t -113.04 105.88 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.436 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 29.3 tp -58.99 139.75 56.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.511 ' HE3' ' HB2' ' A' ' 24' ' ' ALA . 66.8 mmtt -114.48 -43.0 3.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 170.73 133.7 1.65 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.509 ' HB2' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -118.07 159.68 22.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.368 . . . . 0.0 110.869 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -76.24 129.72 10.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.539 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.7 t -80.05 137.39 36.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.922 0.391 . . . . 0.0 110.874 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.63 106.54 3.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.551 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -54.53 137.5 42.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.926 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.565 HD13 ' N ' ' A' ' 91' ' ' GLN . 0.3 OUTLIER -88.34 129.9 35.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.565 ' N ' HD13 ' A' ' 90' ' ' LEU . 37.4 tt0 -80.31 45.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -71.15 146.71 48.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t -132.23 101.24 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -84.88 -78.72 1.14 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.521 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -3.2 11.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.313 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.4 t -129.0 173.09 10.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.0 m -117.89 -46.22 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.46 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -167.39 140.4 3.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -170.84 167.78 7.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.76 155.95 10.09 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.2 p -172.81 133.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.829 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -165.17 128.46 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.77 122.48 0.63 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.0 ttm -167.9 140.69 3.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.98 176.0 13.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.4 p -165.9 166.96 17.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -162.28 146.81 12.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.7 t -168.96 123.92 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.07 132.27 1.55 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -118.11 142.96 46.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.752 0.311 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -144.56 114.79 7.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -169.73 170.71 42.93 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -166.95 129.12 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.592 HD21 ' HG2' ' A' ' 47' ' ' GLN . 18.1 tp -76.16 122.13 23.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 81.7 m -131.98 160.56 35.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.1 m -96.36 126.21 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.479 HD22 ' HB3' ' A' ' 66' ' ' SER . 2.1 mt -116.18 132.66 56.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -102.67 127.73 49.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 58' ' ' VAL . 63.6 m-85 -134.12 128.62 34.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.24 97.32 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.5 t -100.06 136.36 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -70.08 132.2 45.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.431 ' SD ' HG22 ' A' ' 33' ' ' VAL . 30.9 mtm -151.04 120.74 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 t -105.34 -32.79 8.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.5 p -131.39 -175.82 3.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 33' ' ' VAL . 44.3 tp60 -62.93 -53.56 52.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 30' ' ' GLN . 14.2 t -34.56 -59.22 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 65.6 m -46.24 -41.62 13.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.976 HG13 HG11 ' A' ' 51' ' ' VAL . 60.4 t -73.53 -37.21 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -60.07 -28.19 67.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' SER . . . -77.67 -48.84 15.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 72.9 t -50.3 -47.89 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 37' ' ' ARG . 14.6 mtp-105 -71.03 -50.31 35.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HD3' ' C ' ' A' ' 38' ' ' LYS . 1.3 tmtp? -63.44 -19.69 64.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 35' ' ' ALA . 19.3 t -73.12 -36.84 66.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 mt -123.67 25.03 8.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.455 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.5 tt0 -53.84 106.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 41' ' ' GLN . . . 33.66 36.02 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' GLN . 75.3 t -75.37 145.81 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.123 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.91 139.42 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.54 -49.05 4.16 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.6 t -71.07 135.99 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.336 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.592 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -111.33 -30.08 7.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.418 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 4.8 t70 -155.68 156.54 35.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.3 t -153.24 114.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -103.8 149.28 25.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.976 HG11 HG13 ' A' ' 33' ' ' VAL . 89.5 t -136.37 124.28 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -116.97 106.03 12.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.5 tp -74.75 -21.98 59.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -66.69 -48.33 69.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.87 16.16 24.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 46.59 39.14 6.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 69.6 mmm -101.54 163.27 12.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 23' ' ' PHE . 42.5 t -155.53 107.7 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.3 mp -91.41 162.03 14.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.7 t -152.71 107.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -87.49 92.58 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.478 ' C ' HD12 ' A' ' 18' ' ' LEU . 10.1 t -139.45 163.45 32.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.6 p -85.51 -6.86 59.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.7 mt -79.99 152.38 74.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.587 0.708 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.2 Cg_endo -69.72 137.16 34.91 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.479 ' HB3' HD22 ' A' ' 21' ' ' LEU . 78.6 p -34.48 -62.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' SER . 55.1 mm-40 -37.07 -47.96 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -59.11 -59.84 4.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.431 ' HA ' HD12 ' A' ' 72' ' ' LEU . 93.6 t -51.36 -48.29 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -44.09 -48.45 8.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.97 -41.03 86.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 69' ' ' VAL . 44.3 mt -64.25 -31.52 72.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.8 mt -79.03 -23.86 44.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.961 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -79.3 -28.74 42.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.82 -17.89 63.45 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.481 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.2 p -75.41 -14.09 60.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.82 0.343 . . . . 0.0 111.103 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.28 -35.75 4.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.454 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.737 ' N ' ' HE ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -84.89 168.38 15.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.765 0.317 . . . . 0.0 110.894 -179.854 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -104.5 121.17 42.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -98.15 119.07 36.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.5 t -103.88 117.16 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.9 tp -58.12 118.63 5.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -103.57 3.29 34.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 158.11 127.98 0.98 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 15.4 mtp -74.4 -60.06 2.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.7 81.65 0.31 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.6 t -59.06 113.02 1.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.389 . . . . 0.0 110.868 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.02 89.6 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -160.77 119.66 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.4 tp -146.54 117.79 7.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -116.36 170.84 8.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -159.5 106.98 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 95.9 p -82.07 176.87 9.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 148.81 83.1 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.414 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 151.23 68.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 m -164.78 167.28 19.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.9 m -96.96 171.98 8.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t 40.01 42.11 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 110.836 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -47.0 -54.22 10.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.77 163.12 2.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -159.9 173.01 16.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.863 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m -123.8 171.92 9.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.94 156.73 19.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.4 mtt -105.59 166.18 10.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.329 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -173.34 123.8 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.097 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.9 t -141.74 138.25 32.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.784 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -137.56 170.49 15.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.811 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.5 p -116.73 141.66 47.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.76 -176.5 5.16 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.5 p30 -115.82 112.67 22.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -72.82 120.04 17.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -159.49 79.48 0.17 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 17' ' ' THR . 9.0 t -137.66 123.68 20.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.814 0.34 . . . . 0.0 111.159 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.655 HD13 ' OE1' ' A' ' 47' ' ' GLN . 1.3 tt -92.47 117.93 30.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -125.88 162.88 24.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.572 HG23 ' CE1' ' A' ' 61' ' ' HIS . 38.3 m -100.21 99.95 10.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 mt -77.86 119.69 21.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.592 ' HG3' HD13 ' A' ' 59' ' ' LEU . 11.1 mt-10 -93.48 115.07 27.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 76.8 m-85 -118.49 165.4 13.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.573 ' HB3' ' HB ' ' A' ' 81' ' ' VAL . . . -121.53 101.85 7.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.1 t -107.74 142.84 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.492 ' O ' ' CZ ' ' A' ' 78' ' ' ARG . 10.5 tt0 -88.05 110.89 20.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 24.6 mtm -112.62 161.34 16.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.5 p -113.84 -62.09 1.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.4 m -133.14 -174.98 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 31' ' ' SER . 35.3 tp60 -43.68 -56.38 3.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 30' ' ' GLN . 4.1 t -34.21 -70.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' SER . 2.7 m -36.33 -38.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.553 ' CG1' HG11 ' A' ' 51' ' ' VAL . 22.0 t -68.32 -48.23 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' SER . 3.1 m-20 -54.63 -38.31 66.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.71 -57.79 6.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.7 t -49.11 -40.67 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.497 ' NE ' HG12 ' A' ' 33' ' ' VAL . 87.0 mtm180 -69.64 -58.27 4.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -51.24 -37.36 46.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 p -58.97 -31.54 68.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.464 HD13 ' CG2' ' A' ' 60' ' ' VAL . 6.8 mt -128.27 23.82 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 37' ' ' ARG . 5.5 tt0 -81.96 113.42 19.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 52.02 37.55 45.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.412 ' O ' ' C ' ' A' ' 44' ' ' ALA . 93.6 t -90.42 143.95 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.373 . . . . 0.0 111.094 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -36.35 137.47 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.056 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.28 -43.21 2.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.8 t -68.54 137.8 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.655 ' OE1' HD13 ' A' ' 18' ' ' LEU . 6.2 pt20 -114.93 -29.32 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -159.15 156.94 29.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -147.57 113.73 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -104.99 112.24 25.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.776 HG23 HG22 ' A' ' 58' ' ' VAL . 11.8 p -107.32 113.76 44.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -105.4 117.17 33.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.0 tp -84.59 -26.88 27.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -62.34 -44.9 95.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 56' ' ' GLN . 4.5 m-20 -107.16 24.38 12.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 55' ' ' ASP . 6.9 mm-40 36.21 38.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 23' ' ' PHE . 54.7 mmm -110.27 152.15 26.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.79 ' C ' HD23 ' A' ' 59' ' ' LEU . 55.6 t -142.18 114.35 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.866 HD23 ' N ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -103.73 147.01 27.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.957 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.464 ' CG2' HD13 ' A' ' 40' ' ' LEU . 71.0 t -133.71 110.18 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.572 ' CE1' HG23 ' A' ' 20' ' ' THR . 2.4 m80 -86.98 98.82 11.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.502 HG21 ' CG2' ' A' ' 69' ' ' VAL . 8.8 t -145.1 163.11 35.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.419 HG23 HD12 ' A' ' 18' ' ' LEU . 69.7 p -88.35 -0.3 57.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.466 HD13 ' OE2' ' A' ' 68' ' ' GLU . 12.9 mt -86.29 152.31 55.14 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.554 0.693 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.1 Cg_endo -69.69 143.57 51.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.355 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' PRO . 40.2 p -34.54 -66.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 66' ' ' SER . 14.1 pt20 -34.71 -41.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.466 ' OE2' HD13 ' A' ' 64' ' ' LEU . 10.5 tt0 -64.17 -55.28 22.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.528 ' HA ' HD12 ' A' ' 72' ' ' LEU . 82.4 t -65.28 -55.09 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 69' ' ' VAL . 39.5 tt0 -36.39 -52.56 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.95 -49.19 78.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 69' ' ' VAL . 32.2 mt -54.49 -29.59 50.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.4 mt -75.11 -45.32 41.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -61.21 -26.12 67.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.06 -24.39 42.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 62.1 p -69.2 -15.36 63.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 0.0 111.079 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.5 -19.52 28.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 26' ' ' GLN . 16.4 mtt-85 -96.82 172.57 7.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -103.49 140.8 37.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -118.2 122.36 42.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.573 ' HB ' ' HB3' ' A' ' 24' ' ' ALA . 50.6 t -103.78 111.91 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.175 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.542 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 20.3 tp -67.95 117.88 10.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -84.68 -57.12 3.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.85 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -165.85 131.57 2.42 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -119.61 144.41 47.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.05 56.71 3.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 79.5 p -90.06 166.92 13.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.359 . . . . 0.0 110.935 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.88 -125.34 7.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 43.95 40.07 3.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 110.913 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.7 mt -94.6 102.28 14.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -119.36 142.95 47.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -100.27 157.78 16.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.3 p -114.84 5.47 15.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 38.23 -157.8 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.537 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -21.68 33.29 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.35 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.0 m 49.48 44.8 24.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.8 t -75.38 123.98 26.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m 64.1 42.23 5.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 110.896 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 m -138.79 130.48 27.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.833 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.12 164.61 25.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.455 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t -167.45 168.29 13.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -153.77 121.85 6.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.36 123.73 1.88 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.3 mtt -132.33 149.92 52.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.753 0.311 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -149.52 160.89 43.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.8 m -132.89 115.41 15.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -129.61 100.56 5.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.9 p -158.44 160.99 37.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 165.77 108.52 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.447 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -110.55 125.47 53.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.337 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -49.74 149.19 2.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.43 136.19 17.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.439 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 t -156.31 143.08 18.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 111.114 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.526 HD11 ' HG3' ' A' ' 47' ' ' GLN . 1.5 tt -108.82 124.99 51.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.466 ' N ' HD23 ' A' ' 18' ' ' LEU . 47.9 m -134.62 154.88 51.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.0 m -106.32 114.58 28.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.097 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.642 ' CD1' HG21 ' A' ' 69' ' ' VAL . 5.2 mt -95.8 147.32 23.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.472 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 9.9 mt-10 -121.27 103.86 9.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.44 ' HB3' ' HB1' ' A' ' 80' ' ' ALA . 86.7 m-85 -108.86 126.75 53.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.57 102.5 14.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.7 t -98.96 145.28 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -87.66 102.92 15.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.4 mtm -108.2 155.83 20.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.6 p -119.59 -44.92 2.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.167 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.3 p -139.89 179.64 6.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 31' ' ' SER . 8.8 tp-100 -48.88 -52.03 26.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' ASP . 27.9 t -34.43 -67.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.802 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.433 ' HA ' ' NH2' ' A' ' 78' ' ' ARG . 1.8 m -37.52 -45.8 0.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.73 HG13 HG11 ' A' ' 51' ' ' VAL . 90.7 t -63.07 -40.67 89.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 31' ' ' SER . 8.8 t0 -54.54 -52.71 61.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.19 -62.5 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.536 HG23 ' NH1' ' A' ' 78' ' ' ARG . 81.8 t -39.32 -49.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' GLN . 64.5 mtp180 -59.95 -54.79 41.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -53.17 -50.34 64.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.9 t -48.17 -26.09 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.845 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.484 HD13 ' CG2' ' A' ' 60' ' ' VAL . 7.3 mt -132.32 24.4 4.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 37' ' ' ARG . 52.4 tp60 -81.17 106.92 13.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.98 40.64 7.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.459 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.1 t -89.0 150.16 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.6 133.82 2.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.484 ' O ' ' NE2' ' A' ' 47' ' ' GLN . . . 88.74 -49.01 3.58 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.8 t -70.68 140.14 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 111.105 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.64 ' N ' HE21 ' A' ' 47' ' ' GLN . 0.0 OUTLIER -114.23 -29.05 7.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -158.54 156.31 29.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 70.0 t -150.15 125.11 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -113.52 131.03 56.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.73 HG11 HG13 ' A' ' 33' ' ' VAL . 57.5 t -116.33 127.16 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -124.36 103.07 8.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.4 tp -75.87 -30.83 59.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -53.94 -42.44 68.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.7 24.32 11.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 40.59 40.76 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.472 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 70.6 mmm -107.77 151.11 26.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.1 t -143.4 106.53 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.18 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.3 mp -89.78 160.81 16.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.954 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.484 ' CG2' HD13 ' A' ' 40' ' ' LEU . 93.1 t -152.77 105.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -82.45 101.28 10.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.645 HG21 ' CG2' ' A' ' 69' ' ' VAL . 5.9 t -144.13 153.99 42.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.8 p -83.58 8.79 13.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.3 mt -98.68 152.97 38.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.599 0.714 . . . . 0.0 110.966 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.1 Cg_endo -69.75 143.09 49.78 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 65' ' ' PRO . 0.4 OUTLIER -33.77 -62.54 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.484 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 9.8 pt20 -34.7 -48.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.484 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 6.0 tp10 -59.04 -62.82 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.645 ' CG2' HG21 ' A' ' 62' ' ' THR . 96.7 t -49.16 -47.99 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -44.26 -44.24 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.55 99.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 69' ' ' VAL . 26.7 mt -62.5 -39.31 93.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.0 mt -71.53 -51.87 21.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -53.3 -22.04 6.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.41 -16.53 58.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.2 p -84.88 10.51 11.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.4 -29.57 3.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.536 ' NH1' HG23 ' A' ' 36' ' ' VAL . 28.3 mtt180 -83.7 164.17 19.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 0.0 110.871 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -99.31 145.28 27.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.44 ' HB1' ' HB3' ' A' ' 23' ' ' PHE . . . -122.63 120.38 33.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.138 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.2 t -97.95 112.05 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.176 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.8 tp -63.71 126.75 28.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -105.65 -46.97 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -144.31 120.06 1.38 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.49 -45.34 9.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.353 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -158.38 55.77 0.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -144.9 128.0 16.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.952 0.406 . . . . 0.0 110.852 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 144.74 104.6 0.46 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -79.8 140.1 36.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.8 mt -101.33 41.41 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -87.9 144.16 26.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -93.2 140.51 29.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.0 m -135.54 153.9 51.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -113.17 -94.77 2.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 158.99 55.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.718 2.279 . . . . 0.0 112.343 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.2 t -86.46 139.84 30.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.4 m -161.98 169.74 20.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.438 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.1 m 50.57 41.63 25.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.379 . . . . 0.0 110.847 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 t -111.14 -48.77 3.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.87 -150.96 1.8 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.0 m -86.46 146.63 26.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.357 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.5 p -97.36 -45.57 6.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.75 80.36 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.1 mtm -125.35 114.65 19.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.328 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.75 124.74 52.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.3 t -119.41 108.58 14.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -111.5 147.06 36.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.82 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.0 p -142.17 166.23 25.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.71 128.21 1.04 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.52 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -139.24 144.38 38.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.726 0.298 . . . . 0.0 110.925 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 pm0 -69.26 -26.44 64.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.27 88.77 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.2 m -112.1 113.28 25.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.815 0.341 . . . . 0.0 111.161 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.4 tp -80.46 112.99 18.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 66.6 m -132.81 149.8 52.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.531 HG23 ' CE1' ' A' ' 61' ' ' HIS . 56.9 m -86.68 101.26 13.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.791 ' CD1' HG21 ' A' ' 69' ' ' VAL . 4.2 mt -82.18 120.94 25.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.548 ' HG3' HD13 ' A' ' 59' ' ' LEU . 6.5 mt-10 -93.4 128.74 39.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.429 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 59.8 m-85 -131.96 151.69 51.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.35 95.9 6.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.7 t -104.87 135.65 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -77.69 136.45 38.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.448 ' SD ' HG22 ' A' ' 33' ' ' VAL . 26.9 mtm -147.79 140.46 24.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.3 t -130.1 -40.71 1.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.5 p -121.15 162.44 20.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 31' ' ' SER . 44.0 tp60 -49.02 -55.8 10.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 30' ' ' GLN . 68.4 m -34.28 -57.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.6 m -46.57 -46.96 19.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.885 HG13 HG11 ' A' ' 51' ' ' VAL . 76.4 t -68.91 -46.16 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -50.64 -54.06 25.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.59 -63.77 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 72.6 t -40.55 -55.01 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' GLN . 50.0 mtp180 -54.79 -53.07 60.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -53.44 -51.52 62.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.9 p -50.97 -23.18 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 mt -131.67 25.12 4.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 37' ' ' ARG . 35.8 tp60 -81.93 108.81 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 43.08 40.52 4.35 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.0 t -88.99 147.6 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.39 143.43 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.07 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.86 -44.51 2.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.6 t -76.66 131.27 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -102.12 -32.81 9.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 21.5 m-20 -157.05 163.81 38.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.8 t -155.38 135.15 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -120.09 146.18 46.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.885 HG11 HG13 ' A' ' 33' ' ' VAL . 67.2 t -132.44 131.66 60.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -124.96 113.68 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.6 tp -76.41 -55.54 5.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -58.34 -37.07 74.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -91.92 -13.13 31.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 55.53 42.86 29.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.5 mmm -118.83 163.92 16.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.629 ' C ' HD23 ' A' ' 59' ' ' LEU . 71.2 t -154.99 106.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.875 HD23 ' N ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -94.18 148.02 22.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.946 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -134.7 104.43 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.531 ' CE1' HG23 ' A' ' 20' ' ' THR . 2.6 m80 -80.51 88.94 5.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.468 HG21 HG22 ' A' ' 69' ' ' VAL . 6.1 t -137.91 157.57 46.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.2 p -81.91 2.45 30.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.3 mt -86.72 152.17 53.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.671 0.748 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.6 Cg_endo -69.72 140.73 43.52 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 65' ' ' PRO . 13.9 t -34.0 -63.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' SER . 17.8 pt20 -35.14 -53.22 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -55.96 -61.25 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.791 HG21 ' CD1' ' A' ' 21' ' ' LEU . 71.6 t -49.16 -40.41 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -60.38 -31.16 70.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.18 -37.38 66.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.02 -40.53 87.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 35.7 mt -64.87 -53.64 43.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 77' ' ' GLY . 26.2 mt-10 -50.62 -35.24 29.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -44.89 -24.85 0.82 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.483 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 66.7 p -93.24 26.13 3.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 111.145 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . 56.03 15.93 11.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 78' ' ' ARG . 5.8 mmp_? -91.64 169.56 10.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -110.27 97.77 7.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.96 113.95 25.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.072 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.4 t -112.74 104.57 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.429 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 13.5 tp -53.94 125.07 17.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -96.79 -46.5 6.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -179.75 81.63 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.423 ' HB2' HD23 ' A' ' 21' ' ' LEU . 4.8 ptm -49.95 101.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.343 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 59.69 86.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.2 p -116.21 121.03 40.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.941 0.401 . . . . 0.0 110.864 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.38 -65.72 3.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 45.42 53.66 8.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.954 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.9 mp -81.7 150.39 28.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -119.53 150.64 39.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -116.86 118.84 33.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 76.5 p -142.26 138.67 31.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 128.76 71.65 0.14 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 128.92 16.69 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.708 2.272 . . . . 0.0 112.301 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 99.8 p -45.89 104.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.2 t -109.49 -58.3 2.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.528 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -149.4 168.54 23.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.88 0.372 . . . . 0.0 110.863 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -54.16 -52.27 61.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.41 -175.97 15.93 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 m 52.49 48.5 22.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.368 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.4 p -117.53 172.29 7.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 8' ' ' MET . . . -101.53 -107.58 3.05 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.453 ' C ' ' O ' ' A' ' 7' ' ' GLY . 4.4 ptm 33.32 46.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.852 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.13 120.18 5.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t 57.74 43.3 22.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.805 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -87.85 40.7 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.8 m -126.81 169.55 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.14 131.08 3.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' GLN . 13.0 m-20 -105.01 90.32 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.771 0.319 . . . . 0.0 110.913 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' ASN . 2.3 pm0 -35.66 -37.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.76 119.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.52 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.7 m -104.9 107.97 19.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.346 . . . . 0.0 111.142 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.591 ' CA ' HG22 ' A' ' 63' ' ' THR . 66.2 tp -68.12 123.36 20.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -133.73 162.82 30.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.554 ' CG2' HD23 ' A' ' 59' ' ' LEU . 29.2 m -99.55 128.8 45.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.419 HD22 ' HB3' ' A' ' 66' ' ' SER . 5.6 mt -117.48 122.35 43.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.473 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 26.2 mt-10 -104.0 119.35 38.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 58' ' ' VAL . 66.4 m-85 -123.34 132.99 54.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.607 ' HB2' ' HG3' ' A' ' 83' ' ' LYS . . . -86.61 95.76 9.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.4 t -103.84 148.32 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -80.32 135.9 36.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 33.7 mtm -152.33 125.1 8.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 t -108.67 -43.85 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.6 t -125.11 151.75 45.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 31' ' ' SER . 7.4 tp60 -37.75 -41.26 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 30' ' ' GLN . 5.0 m -34.42 -51.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.511 ' O ' HG23 ' A' ' 36' ' ' VAL . 85.2 m -56.43 -54.5 44.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.7 t -51.67 -39.21 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.95 -45.54 91.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.82 -41.66 78.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 32' ' ' CYS . 88.6 t -62.47 -47.67 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 41' ' ' GLN . 45.2 mtp180 -65.85 -47.58 74.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -61.78 -41.88 98.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.6 p -56.03 -26.68 50.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.457 ' CB ' HG21 ' A' ' 49' ' ' VAL . 7.4 mt -130.74 22.87 5.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 37' ' ' ARG . 6.7 tp-100 -77.04 115.6 16.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' GLN . . . 38.44 45.89 1.94 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 44' ' ' ALA . 78.5 t -96.89 147.17 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -33.96 130.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.71 -55.67 5.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.541 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.8 t -62.46 127.3 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 111.071 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.449 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -100.07 -33.21 10.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.449 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 1.5 t70 -160.39 158.84 30.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.457 HG21 ' CB ' ' A' ' 40' ' ' LEU . 37.3 t -150.96 112.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -99.51 140.5 33.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.0 t -122.29 131.96 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -123.6 98.31 5.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.2 tp -68.02 -26.9 66.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -59.16 -43.06 92.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -114.75 22.09 13.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 38.98 44.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 78.5 mmm -106.0 158.32 16.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 23' ' ' PHE . 55.0 t -139.94 109.78 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.554 HD23 ' CG2' ' A' ' 20' ' ' THR . 1.9 mp -92.69 147.51 22.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.0 t -140.41 105.15 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -86.38 88.74 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.7 t -138.57 159.99 40.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.591 HG22 ' CA ' ' A' ' 18' ' ' LEU . 57.2 p -88.0 2.72 51.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.0 mt -87.76 152.19 51.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.645 0.736 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.0 Cg_endo -69.71 137.54 35.86 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' PRO . 57.0 p -35.6 -65.58 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 66' ' ' SER . 13.2 pt20 -34.47 -41.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 9.1 tt0 -66.73 -54.11 26.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.469 ' HA ' HD12 ' A' ' 72' ' ' LEU . 86.7 t -61.28 -53.03 54.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 69' ' ' VAL . 47.9 tt0 -33.49 -52.83 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.32 -46.2 86.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 69' ' ' VAL . 95.4 mt -51.9 -42.32 62.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mt -68.5 -41.02 80.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -61.05 -30.85 70.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.24 -27.73 53.14 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.405 ' HB ' ' NH2' ' A' ' 78' ' ' ARG . 68.6 p -69.32 -22.39 63.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 111.183 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.22 -32.58 5.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.405 ' NH2' ' HB ' ' A' ' 76' ' ' THR . 23.4 mtm-85 -80.81 165.91 21.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -103.59 121.59 43.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.415 ' HB1' ' HB3' ' A' ' 23' ' ' PHE . . . -97.83 110.98 23.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.1 t -101.18 105.79 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.672 HD21 ' HB2' ' A' ' 85' ' ' MET . 24.2 tp -50.24 134.39 22.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.607 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 35.0 mmtm -117.52 -51.48 2.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -138.67 88.33 0.2 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.672 ' HB2' HD21 ' A' ' 82' ' ' LEU . 1.3 tmt? -66.12 -39.7 90.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -153.29 122.09 1.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.1 p -82.42 171.54 14.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.381 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 146.62 72.81 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.538 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -144.04 128.62 18.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.853 0.358 . . . . 0.0 110.948 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 40.3 mt -59.91 169.84 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -96.43 166.37 11.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -174.49 148.56 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.8 t -113.16 105.45 13.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -118.57 160.5 13.95 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 99.52 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.0 m -71.63 177.13 4.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.0 p -121.59 165.69 15.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.488 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -92.11 137.93 31.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -100.93 -44.03 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.21 172.2 13.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.521 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.1 p -166.16 164.56 17.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.93 0.395 . . . . 0.0 110.877 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.8 p -148.88 162.57 39.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.62 -161.4 9.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.14 171.97 17.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.75 0.31 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -151.64 157.55 42.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.063 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.0 t -152.61 143.17 22.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -158.88 144.4 16.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.1 t -130.6 136.99 49.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.9 108.13 2.68 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.476 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -53.05 129.3 30.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -171.46 132.68 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.1 152.31 6.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.446 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.7 t -151.72 136.06 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 0.0 111.164 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.594 HD21 ' HG2' ' A' ' 47' ' ' GLN . 11.9 tp -58.07 122.63 13.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.4 m -131.47 138.0 48.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.577 HG21 HD13 ' A' ' 59' ' ' LEU . 59.9 m -84.7 125.49 32.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.544 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -111.11 112.38 24.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.495 ' HB3' ' HE1' ' A' ' 57' ' ' MET . 5.7 mt-10 -79.78 104.81 10.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.546 ' CE1' ' HG ' ' A' ' 82' ' ' LEU . 59.9 m-85 -112.7 115.32 28.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.46 97.18 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.8 t -97.37 131.14 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -79.48 107.38 12.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 8.8 mtm -100.42 165.84 11.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.0 p -133.4 -39.45 0.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.1 p -152.64 176.05 12.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 31' ' ' SER . 46.0 tp60 -43.67 -56.07 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 34' ' ' ASP . 6.8 t -34.25 -66.69 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.429 ' O ' HG23 ' A' ' 36' ' ' VAL . 20.9 m -38.55 -48.79 1.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.674 HG13 HG11 ' A' ' 51' ' ' VAL . 79.3 t -59.71 -37.06 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 31' ' ' SER . 7.4 t0 -64.07 -45.56 88.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.01 -34.64 78.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.763 HG23 HH12 ' A' ' 78' ' ' ARG . 55.7 t -64.68 -45.86 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 41' ' ' GLN . 66.3 mtp85 -71.16 -46.94 60.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -62.61 -45.7 91.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.3 p -55.3 -19.77 9.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 mt -134.44 23.81 3.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 37' ' ' ARG . 54.4 tp60 -85.98 114.75 23.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 50.41 46.74 44.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.5 t -98.92 141.66 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.867 0.365 . . . . 0.0 111.082 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -43.37 130.8 4.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.46 -50.83 2.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 83.7 t -71.2 147.24 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.125 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.594 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -116.7 -31.57 5.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.412 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 15.5 t0 -153.72 165.13 36.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.3 p -156.89 112.02 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -103.17 121.35 42.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.674 HG11 HG13 ' A' ' 33' ' ' VAL . 11.6 p -105.74 107.62 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -101.03 99.48 9.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.3 tp -72.72 -33.0 66.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -54.94 -59.27 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.2 22.1 6.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 39.07 46.81 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.495 ' HE1' ' HB3' ' A' ' 22' ' ' GLU . 69.4 mmm -119.97 156.76 30.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.5 t -143.77 115.19 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.577 HD13 HG21 ' A' ' 20' ' ' THR . 3.4 mt -101.1 135.12 43.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.9 t -124.16 104.05 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -79.23 89.12 4.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.576 HG21 ' CG2' ' A' ' 69' ' ' VAL . 7.5 t -136.88 157.57 46.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 60.4 p -79.94 -13.88 59.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.1 mt -76.79 152.15 82.7 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.589 0.709 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.82 51.91 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.312 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 68' ' ' GLU . 2.9 m -40.27 -63.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 66' ' ' SER . 18.0 pt20 -34.6 -34.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 66' ' ' SER . 3.4 tp10 -73.3 -60.25 2.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.576 ' CG2' HG21 ' A' ' 62' ' ' THR . 76.6 t -53.79 -37.91 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -51.2 -32.65 24.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.45 -39.71 45.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.9 mt -66.67 -28.97 68.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.6 mt -75.17 -48.52 23.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 77' ' ' GLY . 26.1 mt-10 -54.29 -30.89 52.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -42.07 -24.73 0.2 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 74' ' ' GLU . 63.4 p -86.17 24.41 1.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.806 0.336 . . . . 0.0 111.147 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . 57.19 35.32 69.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.763 HH12 HG23 ' A' ' 36' ' ' VAL . 31.2 mtp180 -131.81 171.33 13.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.885 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -104.81 135.43 46.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -121.02 111.39 17.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.12 118.75 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.178 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.546 ' HG ' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -76.4 121.2 22.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.437 ' N ' HD23 ' A' ' 82' ' ' LEU . 24.8 mmtp -98.64 -30.51 12.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.416 ' H ' ' CD2' ' A' ' 82' ' ' LEU . . . 176.46 145.65 5.71 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.436 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.5 mtm -87.42 53.82 2.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 60.85 73.54 0.48 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.4 m -162.04 146.73 12.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.922 0.391 . . . . 0.0 110.826 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.65 -86.5 1.35 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.538 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 38.9 tp60 50.0 41.08 22.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 0.0 110.973 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.454 HD23 ' C ' ' A' ' 90' ' ' LEU . 3.6 tt -85.77 151.7 23.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -141.38 172.95 11.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -135.19 128.23 31.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.6 t -169.89 130.53 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 132.35 74.08 0.1 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 102.07 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.324 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.0 m -102.41 123.63 46.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -156.61 152.69 27.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.477 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.7 p 47.56 42.12 14.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.801 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.1 m -120.49 161.4 21.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.97 168.01 38.01 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -131.86 166.45 21.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.38 . . . . 0.0 110.844 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -157.72 176.8 12.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.853 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.66 137.37 2.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.45 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.5 mtp -141.07 148.52 40.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.44 163.18 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -147.02 163.66 35.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' SER . 39.0 m-20 -125.82 -42.61 1.9 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' ASP . 58.4 m 35.84 38.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -154.49 139.13 6.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -141.86 128.26 20.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.808 0.337 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -123.28 116.03 22.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.85 139.21 10.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.497 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 t -151.26 127.0 10.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.342 . . . . 0.0 111.124 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.686 HD21 ' HG2' ' A' ' 47' ' ' GLN . 14.2 tp -68.81 128.09 35.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.0 p -128.69 154.14 46.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.0 m -102.99 125.92 49.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.66 HD22 ' HB3' ' A' ' 66' ' ' SER . 2.7 mt -116.15 119.05 34.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 21.2 mt-10 -101.18 103.59 14.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.64 ' HB3' ' HB1' ' A' ' 80' ' ' ALA . 79.0 m-85 -105.12 137.03 43.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.77 97.87 11.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.455 ' CG1' ' CD ' ' A' ' 78' ' ' ARG . 48.0 t -98.61 147.33 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -90.77 118.42 30.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.1 mtm -132.33 138.29 47.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.3 p -107.81 -60.56 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.171 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 30' ' ' GLN . 2.6 t -107.01 149.26 27.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 29' ' ' CYS . 22.5 tp60 -33.65 -41.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 34' ' ' ASP . 18.0 p -34.38 -69.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' SER . 74.1 m -36.52 -46.53 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.562 HG21 ' HB2' ' A' ' 53' ' ' LEU . 67.6 t -61.72 -40.76 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' SER . 7.1 m-20 -59.67 -41.72 91.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.74 -54.77 9.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.7 t -41.47 -44.88 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' GLN . 59.7 mtm180 -67.41 -54.46 20.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -54.77 -31.26 58.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.7 t -60.8 -35.67 77.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.531 ' HB2' HG21 ' A' ' 49' ' ' VAL . 4.1 mt -126.73 20.57 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 37' ' ' ARG . 14.6 tt0 -71.23 110.05 5.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 45.05 44.77 9.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' ALA . 79.4 t -96.28 143.89 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.862 0.363 . . . . 0.0 111.091 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -36.35 141.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.02 -52.63 4.27 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.3 t -64.85 137.02 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.686 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -109.03 -33.22 6.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.434 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 8.7 t0 -158.5 154.29 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.531 HG21 ' HB2' ' A' ' 40' ' ' LEU . 76.1 t -147.79 115.86 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -106.98 112.44 25.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 51' ' ' VAL . 9.3 p -104.5 124.05 58.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -117.55 104.85 11.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.562 ' HB2' HG21 ' A' ' 33' ' ' VAL . 4.5 tp -71.6 -29.73 65.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -57.64 -48.58 79.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 56' ' ' GLN . 1.2 m-20 -103.4 25.17 9.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 55' ' ' ASP . 8.1 mm-40 34.45 45.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.45 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 54.9 mmm -114.35 158.01 22.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.6 t -140.49 112.59 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.516 ' O ' HG13 ' A' ' 49' ' ' VAL . 3.4 mp -97.13 153.2 18.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.5 t -151.5 104.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -87.7 95.11 9.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.463 HG21 ' CG2' ' A' ' 69' ' ' VAL . 8.8 t -141.94 159.56 41.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.0 p -79.09 -12.11 60.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.578 HD13 ' OE2' ' A' ' 68' ' ' GLU . 20.3 mt -74.06 151.92 88.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.658 0.742 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 146.42 60.61 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.723 2.282 . . . . 0.0 112.379 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.66 ' HB3' HD22 ' A' ' 21' ' ' LEU . 60.3 p -45.98 -34.79 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -62.94 -37.01 85.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.578 ' OE2' HD13 ' A' ' 64' ' ' LEU . 10.5 tt0 -71.68 -50.23 32.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.911 ' HA ' HD12 ' A' ' 72' ' ' LEU . 48.3 t -62.04 -46.25 96.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -41.76 -54.87 3.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.24 97.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.911 HD12 ' HA ' ' A' ' 69' ' ' VAL . 22.1 mt -56.58 -29.73 62.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.3 mt -79.68 -51.37 9.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -52.39 -22.14 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.25 -7.75 20.36 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.5 p -91.11 -3.23 57.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 0.0 111.18 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.21 -48.95 0.88 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.455 ' CD ' ' CG1' ' A' ' 25' ' ' VAL . 6.7 ptp85 -80.77 172.56 13.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 110.844 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 80' ' ' ALA . 66.0 tt0 -102.81 164.67 11.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.64 ' HB1' ' HB3' ' A' ' 23' ' ' PHE . . . -133.01 111.71 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.433 HG12 ' HE2' ' A' ' 83' ' ' LYS . 85.9 t -96.42 104.83 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 85' ' ' MET . 9.5 tp -55.44 133.66 50.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.433 ' HE2' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -115.25 -43.53 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.823 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -140.27 100.77 0.28 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.534 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.6 ' HB2' HD21 ' A' ' 82' ' ' LEU . 1.5 tmt? -92.99 125.52 37.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.349 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.67 -178.18 26.04 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.48 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.5 t -48.62 132.57 17.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.933 0.396 . . . . 0.0 110.823 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.6 125.45 2.22 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -137.9 114.28 10.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.3 tp -80.28 141.0 35.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -161.23 129.6 4.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -105.02 105.88 16.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.8 p -66.32 134.43 52.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.62 84.82 0.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 152.09 69.15 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.1 t -168.21 146.82 4.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.5 p -104.85 169.52 8.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.808 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.455 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -158.79 129.54 6.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 110.833 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 m -110.79 148.68 31.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.17 60.85 4.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -113.29 143.77 43.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.362 . . . . 0.0 110.893 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 t -86.34 164.39 17.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.15 78.61 0.18 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.5 ptm -104.4 165.64 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.318 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.14 133.76 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.083 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.6 t -88.2 154.57 20.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -118.45 121.93 41.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 98.0 p -76.55 137.13 39.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -40.55 151.7 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.454 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -92.99 -59.57 2.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -128.1 115.11 17.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.85 -171.93 46.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.517 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.2 142.66 18.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 111.106 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.734 HD21 ' HG2' ' A' ' 47' ' ' GLN . 13.6 tp -71.54 124.02 23.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.8 m -131.34 147.31 52.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.615 HG21 HD13 ' A' ' 59' ' ' LEU . 25.2 m -94.56 125.78 39.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.552 ' N ' HD22 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -111.43 109.99 20.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.485 ' HG2' HD21 ' A' ' 59' ' ' LEU . 13.4 mt-10 -78.38 110.58 13.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 21' ' ' LEU . 61.7 m-85 -117.8 114.84 23.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.43 97.52 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.477 HG11 ' HD2' ' A' ' 78' ' ' ARG . 91.7 t -97.25 134.86 33.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -83.62 105.27 14.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.1 mtm -119.63 150.39 40.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.5 p -121.43 -48.15 2.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' GLN . 1.4 t -124.72 152.33 43.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' VAL . 15.9 tp60 -35.23 -44.07 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' GLN . 12.4 m -34.09 -55.99 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.94 ' O ' HG23 ' A' ' 36' ' ' VAL . 7.3 m -56.91 -44.47 82.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.711 HG13 HG21 ' A' ' 51' ' ' VAL . 53.4 t -60.66 -43.93 95.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -55.77 -52.0 65.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.64 -38.0 89.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.94 HG23 ' O ' ' A' ' 32' ' ' CYS . 98.9 t -59.34 -49.85 81.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.548 ' NE ' HG12 ' A' ' 51' ' ' VAL . 55.1 mtt180 -68.42 -51.98 37.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 41' ' ' GLN . 42.9 tttt -55.6 -44.85 77.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.6 p -50.38 -27.56 6.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 mt -129.82 17.61 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 37' ' ' ARG . 22.3 tt0 -79.54 106.75 11.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.36 42.0 98.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 44' ' ' ALA . 78.3 t -101.47 136.79 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.352 . . . . 0.0 111.076 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -35.89 138.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.26 -50.67 4.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.2 t -71.67 138.7 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.756 0.312 . . . . 0.0 111.177 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.734 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -109.76 -37.43 5.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 10.1 m-20 -153.41 156.26 37.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.3 p -150.85 116.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.504 ' OE1' ' CD2' ' A' ' 61' ' ' HIS . 16.3 mp0 -101.75 143.46 31.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.711 HG21 HG13 ' A' ' 33' ' ' VAL . 2.8 p -129.19 107.14 14.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -101.96 102.09 12.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.6 tp -71.89 -30.42 65.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -59.27 -47.66 84.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 56' ' ' GLN . 3.6 m-20 -104.92 22.88 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 55' ' ' ASP . 11.3 mm100 37.26 44.48 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.458 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 47.6 mmm -116.35 157.98 24.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.4 t -148.23 115.8 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.148 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.615 HD13 HG21 ' A' ' 20' ' ' THR . 3.4 mt -99.51 145.0 27.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.2 t -132.95 99.16 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.504 ' CD2' ' OE1' ' A' ' 50' ' ' GLU . 7.8 m-70 -74.75 88.92 2.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.543 HG21 ' CG2' ' A' ' 69' ' ' VAL . 5.2 t -136.66 155.04 50.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.7 p -80.72 -9.11 59.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.7 mt -78.6 152.27 77.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.592 0.711 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.7 Cg_endo -69.79 139.83 41.07 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 65' ' ' PRO . 7.8 t -34.1 -64.32 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 66' ' ' SER . 15.5 pt20 -35.36 -46.57 0.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 22.7 tt0 -60.07 -57.53 12.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.783 ' HA ' HD12 ' A' ' 72' ' ' LEU . 55.2 t -58.14 -55.55 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 69' ' ' VAL . 48.1 tt0 -34.46 -47.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.11 -46.91 82.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.057 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 69' ' ' VAL . 25.2 mt -54.38 -27.95 39.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.0 mt -79.31 -42.33 25.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.942 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -62.89 -20.52 65.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.49 -27.67 72.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.451 ' OG1' ' CZ ' ' A' ' 78' ' ' ARG . 82.6 p -71.37 -24.74 62.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 111.171 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.24 -39.17 1.94 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.815 ' HE ' HG22 ' A' ' 36' ' ' VAL . 5.0 ptt-85 -80.69 172.23 14.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 110.877 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -102.84 153.75 19.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.416 ' HB1' ' HB3' ' A' ' 23' ' ' PHE . . . -133.06 110.13 10.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.7 t -98.18 126.67 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.2 tp -76.18 116.67 17.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -82.53 -55.73 4.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -172.95 138.81 4.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.1 mtt -69.99 77.49 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 104.38 -178.26 24.25 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.5 m -90.22 82.25 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 0.0 110.906 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 53.15 103.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -147.99 139.6 23.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.362 . . . . 0.0 110.912 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.5 tp -104.34 96.35 6.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -95.47 118.05 31.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.419 ' O ' ' CG ' ' A' ' 92' ' ' ASN . 1.1 p-10 -105.72 118.02 35.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 t -117.53 -69.29 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 146.82 152.69 5.7 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 96' ' ' SER . 53.6 Cg_endo -69.75 -5.56 16.49 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.323 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 95' ' ' PRO . 70.7 m -35.72 101.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.7 m -63.39 -39.28 94.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.896 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -109.34 112.6 24.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 110.874 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 t -126.42 151.62 47.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.18 154.2 16.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.9 p -149.76 124.48 9.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.875 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.5 p -122.91 138.77 54.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.83 -84.08 0.97 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.4 mtt 53.78 43.74 30.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.85 81.55 1.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 t -93.85 165.29 12.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -114.86 165.57 12.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 p -162.18 165.82 26.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 103.0 41.61 2.24 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.538 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -97.36 103.94 15.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.42 131.37 48.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -116.56 110.75 2.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.444 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.49 129.2 19.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 111.149 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 tt -94.86 121.22 36.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.3 m -134.39 154.35 51.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.3 m -90.24 106.08 18.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.782 HD22 ' HB3' ' A' ' 66' ' ' SER . 4.1 mt -82.47 122.18 27.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.474 ' HG2' HD21 ' A' ' 59' ' ' LEU . 15.0 mt-10 -93.75 112.03 23.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.468 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 64.8 m-85 -116.81 154.13 31.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.79 96.03 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.9 t -102.64 136.53 34.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -87.17 116.11 25.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 13.7 mtm -117.57 169.58 9.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.8 p -128.78 -53.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.6 p -135.19 -179.06 5.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -50.94 -51.89 47.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.86 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' GLN . 14.8 m -36.57 -51.08 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.447 ' SG ' ' NH2' ' A' ' 78' ' ' ARG . 13.2 m -55.68 -41.97 74.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 30' ' ' GLN . 78.7 t -63.27 -42.66 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -57.84 -49.6 76.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.52 -60.7 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.063 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.2 t -45.64 -47.25 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.509 ' HG3' HG21 ' A' ' 51' ' ' VAL . 60.6 mtt-85 -62.17 -57.6 10.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -51.43 -35.97 41.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.432 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 35.7 t -58.9 -27.99 65.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.456 HD21 ' HB2' ' A' ' 72' ' ' LEU . 5.9 mt -131.14 19.95 4.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 37' ' ' ARG . 12.4 tt0 -79.6 113.36 17.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 54.32 40.12 67.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.438 HG21 ' HA ' ' A' ' 40' ' ' LEU . 59.8 t -93.57 136.64 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.322 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -39.09 124.72 1.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.6 -52.82 0.85 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.8 t -64.67 137.85 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.344 . . . . 0.0 111.1 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.476 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 4.0 pt20 -109.12 -29.42 8.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 10.9 m-20 -161.75 159.49 27.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -152.28 133.62 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -125.88 131.15 52.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.509 HG21 ' HG3' ' A' ' 37' ' ' ARG . 48.7 t -112.56 118.27 57.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -109.01 99.58 8.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 52.7 tp -73.03 -23.17 60.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -64.19 -39.99 95.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -116.97 27.09 9.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 55' ' ' ASP . 10.7 mm-40 36.71 37.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.5 mmm -108.89 153.06 24.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 42.0 t -139.68 111.24 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.474 HD21 ' HG2' ' A' ' 22' ' ' GLU . 2.8 mt -94.74 135.66 35.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.8 t -128.84 109.36 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -85.29 96.37 9.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.478 HG21 ' CG2' ' A' ' 69' ' ' VAL . 7.0 t -144.64 158.92 43.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.1 p -85.17 -2.26 57.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.406 HD13 ' OE2' ' A' ' 68' ' ' GLU . 5.0 mt -84.26 152.7 61.79 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.62 0.724 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 68' ' ' GLU . 54.0 Cg_endo -69.72 138.14 37.26 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.381 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.782 ' HB3' HD22 ' A' ' 21' ' ' LEU . 1.9 p -36.6 -39.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -55.7 -46.46 77.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' PRO . 12.8 tt0 -62.31 -55.35 29.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.478 ' CG2' HG21 ' A' ' 62' ' ' THR . 88.2 t -54.88 -50.47 61.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -38.14 -54.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.74 -48.38 72.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.456 ' HB2' HD21 ' A' ' 40' ' ' LEU . 62.4 mt -54.52 -38.07 66.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.435 ' HG ' HD11 ' A' ' 40' ' ' LEU . 11.7 mt -70.42 -49.67 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -54.59 -26.45 32.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -49.34 -30.89 12.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.438 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 47.7 p -83.24 19.64 1.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.352 . . . . 0.0 111.116 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.53 32.3 80.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.447 ' NH2' ' SG ' ' A' ' 32' ' ' CYS . 67.3 mtt-85 -119.04 168.86 10.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.799 0.333 . . . . 0.0 110.846 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -111.31 108.28 17.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.11 112.58 24.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.1 t -103.48 112.42 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 22' ' ' GLU . 23.7 tp -65.47 120.17 12.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.991 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -44.17 11.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 175.51 110.91 0.27 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.539 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.8 ptm -83.26 138.7 33.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.69 -75.71 2.19 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.0 p -131.23 171.3 13.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.905 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 138.82 94.77 0.3 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.452 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -94.56 156.71 16.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.2 mt -100.18 144.83 28.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -139.25 121.63 16.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.54 160.2 15.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.7 t -162.91 139.44 7.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 144.46 82.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -177.58 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.7 m -99.19 -57.13 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.6 t -91.04 147.18 23.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.5 p -153.74 -179.13 7.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.831 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -162.87 145.39 10.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.06 174.17 15.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.494 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -173.24 176.42 2.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 0.0 110.85 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 8' ' ' MET . 1.4 t -62.73 112.55 2.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 8' ' ' MET . . . -40.67 93.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 6' ' ' SER . 4.5 ttt -35.81 151.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.57 173.5 8.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 11' ' ' ASP . 2.3 m -173.84 125.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' SER . 11.2 m-20 36.93 44.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.6 t -100.32 114.95 28.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -150.49 168.74 30.39 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.521 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -151.64 153.65 34.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.749 0.309 . . . . 0.0 110.905 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -86.1 86.58 7.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.89 101.71 0.33 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 17' ' ' THR . 10.3 t -133.13 127.45 33.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.801 0.334 . . . . 0.0 111.151 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.677 HD13 ' OE1' ' A' ' 47' ' ' GLN . 1.8 tt -89.6 138.78 31.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.8 m -134.37 164.79 26.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.1 m -99.13 121.96 41.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.09 125.82 54.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -99.05 142.97 29.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -141.86 130.97 23.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.41 95.17 9.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.0 t -99.36 141.99 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -89.79 101.88 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.4 mtm -95.54 166.01 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.5 p -131.32 -53.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.4 p -133.39 179.17 6.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' VAL . 41.4 tp60 -48.73 -56.54 8.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 30' ' ' GLN . 36.9 t -34.39 -61.7 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 36.4 m -41.55 -43.33 2.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.487 HG13 ' CG2' ' A' ' 51' ' ' VAL . 60.2 t -67.92 -34.79 69.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' SER . 5.7 t0 -61.53 -52.69 63.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.33 -50.93 71.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.437 ' HA ' ' NH2' ' A' ' 78' ' ' ARG . 26.0 t -41.92 -52.06 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 41' ' ' GLN . 37.7 mtp85 -69.59 -53.31 19.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -52.28 -25.67 10.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.2 p -73.96 -26.47 60.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mt -132.39 24.06 4.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.949 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 37' ' ' ARG . 12.5 pt20 -80.61 120.3 24.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 40.3 49.65 3.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 41' ' ' GLN . 99.2 t -108.06 136.4 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -35.28 134.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.32 -50.28 3.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.6 t -72.49 117.32 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 111.122 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.677 ' OE1' HD13 ' A' ' 18' ' ' LEU . 6.4 pt20 -91.52 -29.76 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -161.7 161.99 29.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 59' ' ' LEU . 7.6 p -153.63 136.53 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -122.36 130.77 53.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.525 ' O ' HG13 ' A' ' 51' ' ' VAL . 7.7 p -122.35 110.75 27.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.075 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -105.5 122.24 45.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.7 tp -84.67 -50.45 7.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -55.9 -31.06 62.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -103.87 4.84 35.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 43.12 37.02 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 65.9 mmm -112.64 162.38 15.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.426 HG22 HG23 ' A' ' 51' ' ' VAL . 19.3 t -151.77 105.72 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.509 ' O ' HG23 ' A' ' 49' ' ' VAL . 5.4 mp -89.92 162.53 15.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.8 t -152.71 105.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -86.93 97.45 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.457 HG21 ' CG2' ' A' ' 69' ' ' VAL . 8.9 t -145.09 163.14 35.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.2 p -87.03 3.11 47.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -90.34 152.24 45.39 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.553 0.692 . . . . 0.0 110.951 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 67' ' ' GLN . 54.5 Cg_endo -69.73 135.45 30.54 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.716 2.277 . . . . 0.0 112.374 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.471 ' HB2' HD12 ' A' ' 82' ' ' LEU . 3.4 p -34.31 -33.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' PRO . 5.3 tt0 -58.64 -54.31 48.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -57.11 -51.85 67.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.573 ' HA ' HD12 ' A' ' 72' ' ' LEU . 46.5 t -57.0 -48.27 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -46.05 -41.85 12.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.38 -37.27 82.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 69' ' ' VAL . 56.2 mt -63.83 -37.78 88.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.6 mt -71.97 -45.82 59.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -61.79 -21.2 64.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.36 -31.94 67.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.729 HG21 ' CZ ' ' A' ' 78' ' ' ARG . 68.1 p -68.68 -21.76 64.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.848 0.356 . . . . 0.0 111.146 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.91 12.72 29.23 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.455 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.729 ' CZ ' HG21 ' A' ' 76' ' ' THR . 7.0 ptt180 -104.51 172.82 6.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.752 0.31 . . . . 0.0 110.868 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -104.66 110.38 22.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.51 123.88 50.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.9 t -119.85 117.36 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.723 HD23 ' N ' ' A' ' 83' ' ' LYS . 1.3 tt -67.69 137.53 55.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.723 ' N ' HD23 ' A' ' 82' ' ' LEU . 30.3 mmtp -112.39 -43.8 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -175.69 115.69 0.54 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 29.2 mtp -42.82 -74.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.22 -103.27 0.1 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.532 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.3 t -171.13 134.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -126.13 81.11 0.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -67.66 83.08 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 0.0 110.958 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.0 tp -104.9 125.99 51.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -118.24 141.26 48.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -162.24 171.85 16.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.3 m -128.28 41.69 3.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.426 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 65.23 104.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.426 ' HD2' ' HA2' ' A' ' 94' ' ' GLY . 53.7 Cg_endo -69.8 120.23 7.04 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.314 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.7 p -46.64 115.11 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 98.6 p -71.63 157.94 37.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.837 0.351 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.61 HD21 ' HG2' ' A' ' 47' ' ' GLN . 47.8 tp -85.73 122.92 30.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.8 m -133.65 164.92 26.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.5 m -95.79 132.58 40.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.0 mt -120.52 119.64 33.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -93.73 118.82 31.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -123.06 127.68 49.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.54 96.08 10.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.5 t -99.23 129.9 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -78.09 107.35 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.3 mtm -105.74 163.73 12.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.3 p -129.56 -59.35 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 16.7 p -125.88 174.66 8.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' SER . 63.3 tp60 -44.27 -54.17 5.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' GLN . 31.7 t -34.64 -61.9 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.451 ' O ' HG23 ' A' ' 36' ' ' VAL . 27.2 m -47.5 -43.13 24.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 30' ' ' GLN . 59.0 t -68.5 -32.68 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.34 -35.51 63.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.59 -45.92 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 32' ' ' CYS . 42.8 t -56.3 -43.92 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.165 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.571 ' HG3' HG21 ' A' ' 51' ' ' VAL . 70.7 mtp180 -67.24 -48.06 68.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.454 ' HA ' ' CB ' ' A' ' 41' ' ' GLN . 13.1 ttmt -58.5 -44.76 89.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.4 p -48.22 -24.36 1.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mt -133.31 18.18 4.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.454 ' CB ' ' HA ' ' A' ' 38' ' ' LYS . 13.2 tt0 -80.11 114.73 19.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 48.22 48.18 26.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.436 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 44' ' ' ALA . 94.2 t -105.3 136.77 37.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 111.137 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.31 124.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.12 -57.48 1.22 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.489 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.0 t -59.68 130.76 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.328 . . . . 0.0 111.149 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.61 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -107.21 -29.42 9.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -160.9 155.89 24.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 70.2 t -152.58 123.62 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -110.11 132.43 54.18 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.571 HG21 ' HG3' ' A' ' 37' ' ' ARG . 97.5 t -121.64 116.86 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -110.27 110.44 21.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tp -78.02 -19.89 53.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -67.87 -41.67 82.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.32 25.15 11.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 38.98 36.63 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.0 mmm -102.0 160.65 14.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.449 HG13 HG22 ' A' ' 51' ' ' VAL . 96.5 t -154.79 105.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.106 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -86.54 162.15 18.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 81.7 t -152.58 108.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -89.31 92.41 9.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.475 HG21 ' CG2' ' A' ' 69' ' ' VAL . 9.8 t -138.26 160.6 39.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.3 p -81.13 -13.0 59.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.4 mt -80.38 152.86 73.68 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.597 0.713 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 160.24 50.44 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.4 p -57.02 -35.91 69.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -62.9 -25.46 68.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -82.6 -49.42 9.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.475 ' CG2' HG21 ' A' ' 62' ' ' THR . 98.1 t -66.86 -38.77 82.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -47.71 -46.65 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.93 97.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.6 mt -62.81 -32.84 74.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.57 -40.91 56.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.97 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -68.11 -22.84 64.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.57 -23.18 64.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.9 p -71.57 -24.28 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 111.143 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.97 -11.29 15.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -96.57 168.27 10.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.319 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -98.45 115.16 27.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -98.17 116.1 29.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.8 t -108.9 128.98 64.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 42.9 tp -72.99 123.02 22.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.1 m . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.809 0.338 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.447 HD11 ' CG ' ' A' ' 47' ' ' GLN . 2.1 tt -100.25 125.23 46.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.2 m -133.9 163.39 29.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.7 m -94.52 134.07 37.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.507 HD22 ' OG ' ' A' ' 66' ' ' SER . 16.1 mt -120.76 126.99 51.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -101.82 108.16 19.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -111.42 127.04 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.436 ' CB ' ' HE3' ' A' ' 83' ' ' LYS . . . -87.42 97.12 10.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.066 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.8 t -99.66 137.09 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -88.64 103.57 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 18.9 mtm -100.69 170.02 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.2 p -129.72 -48.63 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.7 p -140.16 175.29 9.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 31' ' ' SER . 9.2 tp-100 -43.73 -56.46 3.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' GLN . 14.9 t -34.57 -62.95 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.749 ' O ' HG23 ' A' ' 36' ' ' VAL . 17.6 m -40.46 -43.74 1.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.627 HG13 HG11 ' A' ' 51' ' ' VAL . 55.5 t -65.84 -41.01 89.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.125 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.64 -49.95 75.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.07 -54.89 35.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 32' ' ' CYS . 86.9 t -47.71 -45.65 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' GLN . 12.0 mtp-105 -66.77 -54.55 21.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -53.76 -32.02 50.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.1 p -67.4 -21.83 65.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.811 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.523 HD11 ' CD2' ' A' ' 73' ' ' LEU . 6.9 mt -134.73 20.99 3.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -81.11 116.97 21.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 42.58 36.92 2.47 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 44' ' ' ALA . 89.5 t -87.11 141.46 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 111.13 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.88 117.02 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.059 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.28 -49.73 1.04 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.441 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.8 t -69.6 123.55 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.447 ' CG ' HD11 ' A' ' 18' ' ' LEU . 5.7 pt20 -98.37 -25.69 14.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -164.98 159.81 18.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 59' ' ' LEU . 3.8 p -155.75 132.51 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -117.41 144.05 45.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.627 HG11 HG13 ' A' ' 33' ' ' VAL . 96.6 t -129.95 113.7 27.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -109.6 103.19 12.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.9 tp -70.16 -34.96 73.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -49.92 -45.38 50.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 56' ' ' GLN . 1.0 OUTLIER -114.91 27.93 9.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' ASP . 3.3 mm-40 37.72 39.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.1 mmm -102.87 159.01 15.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.46 HG22 HG13 ' A' ' 51' ' ' VAL . 96.3 t -155.48 106.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.558 ' O ' HG23 ' A' ' 49' ' ' VAL . 5.1 mp -86.74 158.56 19.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 87.8 t -146.7 104.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -88.1 97.58 11.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.447 HG21 ' CG2' ' A' ' 69' ' ' VAL . 12.7 t -144.86 162.87 35.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.9 p -86.98 0.49 55.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.089 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.4 mt -90.29 152.88 46.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.622 0.725 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 144.77 54.87 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.328 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.507 ' OG ' HD22 ' A' ' 21' ' ' LEU . 66.4 m -44.18 -34.12 1.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -59.26 -51.57 69.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -60.47 -53.54 56.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.447 ' CG2' HG21 ' A' ' 62' ' ' THR . 77.3 t -56.73 -45.6 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -47.77 -42.71 26.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.96 90.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.09 -41.01 97.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.523 ' CD2' HD11 ' A' ' 40' ' ' LEU . 14.8 mt -67.69 -41.04 84.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -62.67 -25.16 68.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.77 -30.42 72.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 49.1 p -66.15 -24.47 66.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.83 0.347 . . . . 0.0 111.138 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.36 -18.59 10.15 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.528 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -92.89 171.17 9.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -106.33 120.99 43.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.86 111.24 23.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.2 t -101.38 110.22 27.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.2 tp -61.67 129.08 39.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.436 ' HE3' ' CB ' ' A' ' 24' ' ' ALA . 37.0 mmtt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.4 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.849 0.357 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.7 tp -68.78 121.47 16.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 m -133.59 161.96 33.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.463 ' CG2' HD23 ' A' ' 59' ' ' LEU . 11.3 m -91.68 136.33 33.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.568 ' CD1' HG21 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -131.05 116.7 18.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.456 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 14.7 mt-10 -88.15 141.03 28.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -143.48 117.6 9.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.29 96.59 4.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.058 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.0 t -97.55 135.44 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -84.13 102.85 12.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.1 mtm -102.79 169.17 8.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.5 p -132.23 -39.66 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.3 p -151.95 175.76 12.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' SER . 41.8 tp60 -42.35 -57.36 2.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' GLN . 25.7 t -37.56 -60.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.841 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.3 m -41.64 -38.56 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.713 HG13 HG11 ' A' ' 51' ' ' VAL . 67.7 t -69.71 -43.89 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -52.48 -58.75 5.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.63 -64.15 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 74.7 t -42.65 -50.85 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 41' ' ' GLN . 84.6 mtm180 -59.38 -55.91 28.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' HD2' ' C ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -50.47 -42.55 54.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.8 p -57.26 -23.35 47.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.615 ' O ' HG11 ' A' ' 46' ' ' VAL . 6.0 mt -134.1 23.79 3.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 37' ' ' ARG . 24.7 tp60 -86.33 108.39 18.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 50.06 34.84 24.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 44' ' ' ALA . 79.2 t -86.86 142.94 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.835 0.35 . . . . 0.0 111.101 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.75 109.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.03 -48.66 0.93 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.615 HG11 ' O ' ' A' ' 40' ' ' LEU . 41.4 t -67.69 122.69 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 111.092 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -97.87 -33.47 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 15.7 m-20 -158.05 161.78 38.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.5 p -153.77 124.94 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -110.09 133.95 52.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.713 HG11 HG13 ' A' ' 33' ' ' VAL . 39.2 t -122.0 107.82 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -100.2 101.54 12.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.2 tp -71.04 -29.74 65.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -59.02 -39.94 83.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -116.86 22.83 12.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 41.97 33.33 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.456 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 65.7 mmm -99.36 157.4 16.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.635 HG22 HG13 ' A' ' 51' ' ' VAL . 75.1 t -152.21 108.09 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.463 HD23 ' CG2' ' A' ' 20' ' ' THR . 4.9 mp -89.24 156.71 18.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.6 t -141.53 107.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -87.84 94.3 9.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.6 t -144.59 162.09 37.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.128 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.6 p -84.26 -6.22 59.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.613 HD22 ' OE1' ' A' ' 68' ' ' GLU . 15.5 mt -81.3 152.2 70.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.588 0.709 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 145.03 55.86 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.634 2.223 . . . . 0.0 112.389 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -39.96 -32.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -64.7 -52.99 54.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.613 ' OE1' HD22 ' A' ' 64' ' ' LEU . 5.1 tt0 -57.24 -39.7 76.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.651 ' HA ' HD12 ' A' ' 72' ' ' LEU . 62.1 t -70.54 -53.94 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -42.78 -48.08 5.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.96 89.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 69' ' ' VAL . 29.0 mt -56.07 -41.86 75.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.427 ' HG ' HD11 ' A' ' 40' ' ' LEU . 6.7 mt -66.07 -47.41 74.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -58.38 -25.94 62.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.93 -22.29 62.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 65.5 p -75.07 -23.77 58.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 111.18 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.61 -40.72 1.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -81.23 171.97 14.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -100.09 147.3 25.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -124.29 115.39 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.7 t -98.27 126.18 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.5 tp -72.32 120.8 18.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.812 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.5 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.798 0.332 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.901 HD11 ' HG2' ' A' ' 47' ' ' GLN . 2.2 tt -54.15 120.0 5.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 p -132.93 143.81 49.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.484 ' C ' HD13 ' A' ' 21' ' ' LEU . 87.0 m -98.33 120.16 38.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.19 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.675 HD22 ' N ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -113.82 120.36 40.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.406 ' HB3' ' HE1' ' A' ' 57' ' ' MET . 8.4 mt-10 -89.11 111.0 21.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.541 ' CE2' ' HB2' ' A' ' 21' ' ' LEU . 77.6 m-85 -113.49 117.59 32.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.51 100.48 8.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.2 t -97.21 136.4 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -86.19 101.36 12.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.841 ' SD ' HG22 ' A' ' 33' ' ' VAL . 24.3 mtm -106.43 151.15 25.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.7 p -122.15 -21.63 5.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.124 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.3 p -152.39 -177.33 6.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 33' ' ' VAL . 1.2 mp0 -61.2 -55.4 32.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' GLN . 17.9 t -34.27 -64.31 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.869 ' O ' HG23 ' A' ' 36' ' ' VAL . 30.1 m -44.25 -39.49 4.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.841 HG22 ' SD ' ' A' ' 27' ' ' MET . 77.9 t -73.01 -42.42 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.73 -43.66 85.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.14 -37.79 81.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 32' ' ' CYS . 80.8 t -61.33 -45.22 99.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' GLN . 41.9 mtp180 -67.37 -57.89 5.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HD3' ' C ' ' A' ' 38' ' ' LYS . 4.2 tmtt? -51.59 -36.37 45.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.414 ' N ' ' HD3' ' A' ' 38' ' ' LYS . 13.5 m -57.11 -31.3 65.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.468 ' O ' HG11 ' A' ' 46' ' ' VAL . 5.6 mt -129.77 19.99 5.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 37' ' ' ARG . 20.0 tt0 -79.11 113.54 17.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 50.65 32.9 25.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.3 t -90.56 144.12 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.785 0.326 . . . . 0.0 111.168 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -38.66 135.37 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.86 -45.75 3.53 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.468 HG11 ' O ' ' A' ' 40' ' ' LEU . 96.5 t -73.6 116.66 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.765 0.317 . . . . 0.0 111.159 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.901 ' HG2' HD11 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -93.65 -29.69 15.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -159.32 157.24 30.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 59' ' ' LEU . 84.9 t -155.04 133.34 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -120.89 132.48 54.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.709 HG21 HG13 ' A' ' 33' ' ' VAL . 8.1 p -121.45 102.17 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -97.5 108.36 21.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.2 tp -71.19 -37.75 72.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.79 -60.09 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 56' ' ' GLN . 10.0 m-20 -95.35 25.84 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 55' ' ' ASP . 8.5 mm-40 35.77 38.1 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.406 ' HE1' ' HB3' ' A' ' 22' ' ' GLU . 45.6 mmm -103.96 154.79 19.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.643 HG22 HG23 ' A' ' 51' ' ' VAL . 57.3 t -149.92 106.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.518 ' O ' HG13 ' A' ' 49' ' ' VAL . 5.2 mp -87.02 159.79 18.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.7 t -150.5 104.96 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.438 ' HB3' HD21 ' A' ' 18' ' ' LEU . 7.8 m170 -88.57 90.03 8.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.45 HG21 ' CG2' ' A' ' 69' ' ' VAL . 7.5 t -135.46 158.0 45.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.117 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.9 p -77.89 -14.35 59.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.7 mt -74.42 152.45 87.75 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.565 0.698 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 67' ' ' GLN . 54.1 Cg_endo -69.74 135.6 30.92 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' PRO . 10.1 t -35.94 -30.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 65' ' ' PRO . 5.8 tp60 -62.61 -52.48 63.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 65' ' ' PRO . 1.7 tp10 -58.49 -48.23 81.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.45 ' CG2' HG21 ' A' ' 62' ' ' THR . 30.6 t -61.91 -50.37 80.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -45.78 -32.88 2.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.54 -41.02 61.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 78.7 mt -60.11 -36.31 77.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.5 mt -70.21 -48.76 55.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.87 -19.12 49.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.75 -21.62 76.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.6 p -76.03 -18.65 59.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 111.158 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.01 -42.82 1.5 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.579 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.2 ptp85 -80.76 172.46 13.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -94.48 159.36 15.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -135.04 110.31 8.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.052 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.1 t -98.67 134.91 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.5 tp -84.7 119.4 25.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.799 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.5 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.839 0.352 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.414 HD11 ' HB3' ' A' ' 47' ' ' GLN . 1.6 tt -84.69 126.81 33.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 74.6 m -134.19 157.54 45.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.2 m -92.1 130.14 37.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.765 ' CD1' HG21 ' A' ' 69' ' ' VAL . 12.8 mt -116.4 124.04 49.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.961 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -99.42 119.56 38.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 78.6 m-85 -122.46 131.68 53.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.29 98.03 10.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.9 t -99.77 145.39 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -88.67 117.07 27.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.519 ' HB2' HD12 ' A' ' 53' ' ' LEU . 21.3 mtm -129.21 156.9 43.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.8 p -127.89 -48.82 1.36 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 3.4 t -122.08 157.79 30.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 31' ' ' SER . 36.7 tp60 -41.32 -40.48 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 30' ' ' GLN . 6.3 m -34.75 -49.63 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.0 m -61.05 -52.59 64.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.474 HG13 ' CG1' ' A' ' 51' ' ' VAL . 82.9 t -52.7 -32.94 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -71.3 -51.04 26.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.02 -55.2 35.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.2 t -45.14 -49.79 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.432 ' HD2' ' CG1' ' A' ' 51' ' ' VAL . 52.2 mtp85 -69.44 -55.3 10.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -53.01 -25.06 10.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.8 t -72.76 -35.84 67.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mt -120.47 28.99 7.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.65 106.31 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 38.84 44.36 1.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 44' ' ' ALA . 48.0 t -85.46 139.23 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -33.93 117.38 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.86 -47.99 0.99 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 42.8 t -80.69 117.05 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.337 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 5.4 pt20 -85.14 -29.08 25.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 5.4 m-20 -159.18 164.09 35.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.3 p -155.73 128.71 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -116.95 132.04 56.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.474 ' CG1' HG13 ' A' ' 33' ' ' VAL . 3.3 p -123.79 112.75 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.094 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -105.64 108.69 20.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.519 HD12 ' HB2' ' A' ' 27' ' ' MET . 13.0 tp -76.41 -25.83 54.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -67.67 -45.45 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 56' ' ' GLN . 2.0 m-20 -105.52 26.46 9.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 55' ' ' ASP . 26.0 mm-40 34.8 35.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 55' ' ' ASP . 46.7 mmm -106.36 159.32 16.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.471 HG22 HG23 ' A' ' 51' ' ' VAL . 83.9 t -154.23 107.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.36 162.1 17.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.1 t -151.21 107.43 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -90.78 97.41 11.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.462 HG21 HG22 ' A' ' 69' ' ' VAL . 14.4 t -143.18 162.94 34.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.0 p -88.44 1.23 55.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mt -85.06 152.25 58.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.626 0.727 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.8 Cg_endo -69.75 139.16 39.6 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.646 2.231 . . . . 0.0 112.397 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 65' ' ' PRO . 17.0 t -34.52 -63.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' SER . 9.6 pt20 -37.5 -44.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 65' ' ' PRO . 10.5 tp10 -64.44 -59.8 3.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.765 HG21 ' CD1' ' A' ' 21' ' ' LEU . 66.4 t -50.26 -40.14 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -51.72 -35.46 43.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.56 -41.44 54.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 69' ' ' VAL . 21.1 mt -62.0 -20.9 64.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 35.7 mt -91.69 -42.91 9.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -62.93 -18.78 63.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.78 -26.55 71.2 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 28.8 p -69.95 -8.47 49.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 111.128 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.77 8.57 60.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -115.11 163.55 15.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -97.5 120.37 37.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -105.31 120.46 41.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.4 t -105.58 104.85 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.422 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 20.7 tp -57.97 118.72 5.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.876 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.79 0.329 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.596 HD11 ' HG2' ' A' ' 47' ' ' GLN . 1.4 tt -76.49 114.86 15.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.953 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 97.7 m -134.34 149.79 50.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.1 m -88.9 120.26 30.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.408 HD12 HG21 ' A' ' 69' ' ' VAL . 3.0 mt -107.27 127.18 53.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.632 ' O ' HD12 ' A' ' 82' ' ' LEU . 11.1 mt-10 -93.43 132.2 37.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 58' ' ' VAL . 51.0 m-85 -136.26 120.82 18.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.426 ' HB2' ' HG3' ' A' ' 83' ' ' LYS . . . -90.13 95.02 10.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.435 ' CG2' HG21 ' A' ' 58' ' ' VAL . 15.2 t -99.98 143.94 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.165 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -87.06 127.19 35.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.445 ' HB2' HD12 ' A' ' 53' ' ' LEU . 20.8 mtm -134.55 154.15 51.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.8 p -122.85 -62.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.456 ' O ' ' C ' ' A' ' 30' ' ' GLN . 1.7 t -108.42 148.59 29.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 29' ' ' CYS . 11.9 tp60 -33.65 -42.34 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' GLN . 30.8 p -34.11 -67.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.929 ' O ' HG23 ' A' ' 36' ' ' VAL . 58.4 m -38.73 -44.85 1.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.537 HG13 ' CG1' ' A' ' 51' ' ' VAL . 93.7 t -64.98 -41.07 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' SER . 3.2 t0 -57.54 -50.52 72.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.599 ' HB3' HH21 ' A' ' 78' ' ' ARG . . . -67.73 -55.04 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.929 HG23 ' O ' ' A' ' 32' ' ' CYS . 85.7 t -39.7 -38.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' GLN . 59.3 mtp180 -74.89 -53.51 8.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -53.42 -35.53 60.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 92.7 p -59.74 -31.52 69.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mt -127.14 20.11 6.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 37' ' ' ARG . 11.4 tt0 -73.95 108.63 6.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 49.28 41.02 30.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 92.9 t -92.09 141.32 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -37.47 145.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.61 -52.21 3.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.401 HG11 ' CG2' ' A' ' 49' ' ' VAL . 94.1 t -66.52 130.13 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.342 . . . . 0.0 111.106 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.596 ' HG2' HD11 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -100.64 -32.47 10.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.481 ' HB2' ' NE2' ' A' ' 47' ' ' GLN . 2.6 t70 -158.04 154.93 28.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.401 ' CG2' HG11 ' A' ' 46' ' ' VAL . 97.2 t -146.46 129.15 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -126.85 112.46 15.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.537 ' CG1' HG13 ' A' ' 33' ' ' VAL . 7.3 p -103.34 127.33 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.519 ' N ' ' CD2' ' A' ' 52' ' ' HIS . 1.5 m-70 -116.18 115.65 26.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.445 HD12 ' HB2' ' A' ' 27' ' ' MET . 7.4 tp -84.66 -23.6 29.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -68.61 -53.08 24.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' GLN . 7.5 m-20 -97.78 25.22 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' ASP . 3.9 mm-40 34.38 43.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 40.9 mmm -111.04 167.21 10.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 23' ' ' PHE . 95.3 t -155.54 109.99 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -103.32 140.6 37.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 99.1 t -136.19 106.46 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -81.34 98.1 8.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.45 HG21 ' CG2' ' A' ' 69' ' ' VAL . 6.8 t -145.19 161.76 38.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.0 p -87.21 -7.18 58.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.461 HD13 ' CD ' ' A' ' 68' ' ' GLU . 6.0 mt -78.17 152.57 79.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 110.912 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.8 Cg_endo -69.8 139.38 39.92 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.332 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' PRO . 71.2 m -34.38 -57.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -38.53 -46.44 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.461 ' CD ' HD13 ' A' ' 64' ' ' LEU . 16.2 tm-20 -61.18 -62.87 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.45 ' CG2' HG21 ' A' ' 62' ' ' THR . 74.2 t -48.09 -44.56 12.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -46.85 -43.4 18.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.63 94.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.42 -36.67 78.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.5 mt -76.57 -44.48 34.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -61.45 -12.93 16.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.4 -28.09 62.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 72.7 p -77.24 -1.19 28.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 111.148 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.29 27.53 30.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.449 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.599 HH21 ' HB3' ' A' ' 35' ' ' ALA . 18.3 mtt-85 -125.86 163.61 22.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -102.03 121.48 42.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -100.79 124.03 45.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.4 t -115.92 107.88 23.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 22' ' ' GLU . 17.4 tp -60.88 131.85 52.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.426 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 40.7 mmtt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.8 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.798 0.332 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.601 HD11 ' HG2' ' A' ' 47' ' ' GLN . 4.2 tt -72.92 113.36 9.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 m -130.46 154.1 48.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.48 HG23 ' CD2' ' A' ' 61' ' ' HIS . 58.7 m -93.06 105.8 17.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.452 HD22 ' HB2' ' A' ' 66' ' ' SER . 5.5 mt -84.98 125.28 32.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.964 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.583 ' HG3' HD13 ' A' ' 59' ' ' LEU . 16.9 mt-10 -95.48 128.81 42.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -131.72 147.77 52.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.681 ' HB3' ' HB ' ' A' ' 81' ' ' VAL . . . -103.93 96.47 6.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.3 t -102.54 135.97 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.57 113.91 26.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.401 ' SD ' HG22 ' A' ' 33' ' ' VAL . 14.8 mtm -115.0 169.34 9.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.4 p -128.98 -45.2 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.1 p -138.34 -175.87 4.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 31' ' ' SER . 14.1 tp60 -56.34 -49.47 74.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 30' ' ' GLN . 50.8 m -34.23 -68.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 70.9 m -38.65 -53.02 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.579 HG13 HG11 ' A' ' 51' ' ' VAL . 94.2 t -56.19 -48.49 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -47.77 -51.48 22.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.46 -58.85 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.7 t -42.49 -38.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 41' ' ' GLN . 88.8 mtt180 -72.46 -53.19 12.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -57.3 -30.06 64.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.446 ' HB2' ' CG2' ' A' ' 76' ' ' THR . 28.9 t -65.02 -22.0 66.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.799 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.617 ' CB ' HG21 ' A' ' 49' ' ' VAL . 7.4 mt -132.89 10.55 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 37' ' ' ARG . 2.5 tm0? -75.42 109.86 9.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 58.36 46.2 93.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.3 t -104.06 136.64 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 111.086 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -37.67 141.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.88 -49.17 3.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.6 t -65.41 137.6 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.601 ' HG2' HD11 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -113.19 -30.42 6.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -162.96 152.37 15.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.617 HG21 ' CB ' ' A' ' 40' ' ' LEU . 96.6 t -141.8 114.54 4.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -99.95 119.96 39.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.647 HG13 HG22 ' A' ' 58' ' ' VAL . 29.9 t -109.41 109.82 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -101.16 103.84 14.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.1 tp -76.46 -29.39 56.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.39 -52.05 67.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -102.07 25.52 8.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 39.7 38.85 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 37.3 mmm -109.87 160.75 16.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.647 HG22 HG13 ' A' ' 51' ' ' VAL . 92.1 t -155.42 107.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.876 HD23 ' N ' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -94.63 149.99 20.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.8 t -133.46 109.03 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.48 ' CD2' HG23 ' A' ' 20' ' ' THR . 4.9 m170 -85.04 94.5 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.0 t -143.7 163.54 32.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.7 p -85.1 -10.58 56.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.203 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.9 mt -78.38 152.2 78.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.666 0.746 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 151.99 69.06 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.452 ' HB2' HD22 ' A' ' 21' ' ' LEU . 2.6 t -48.04 -57.59 5.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -41.16 -39.89 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -67.77 -63.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 72' ' ' LEU . 61.7 t -48.77 -47.35 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 69' ' ' VAL . 19.7 tt0 -36.49 -49.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -43.48 95.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 69' ' ' VAL . 78.9 mt -56.58 -41.46 76.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.7 mt -72.72 -49.03 33.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -56.02 -25.63 45.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.7 -34.09 75.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.534 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.446 ' CG2' ' HB2' ' A' ' 39' ' ' SER . 78.9 p -66.7 -23.03 66.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.854 0.359 . . . . 0.0 111.12 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.61 32.07 4.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.8 mtp85 -128.54 163.83 24.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.76 0.314 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -96.77 109.79 22.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.1 113.86 25.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.681 ' HB ' ' HB3' ' A' ' 24' ' ' ALA . 65.8 t -104.52 104.6 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 22' ' ' GLU . 25.1 tp -54.16 125.02 17.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.566 ' CE ' ' HB2' ' A' ' 24' ' ' ALA . 43.4 mmtt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 17' ' ' THR . 9.6 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.824 0.345 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.484 HD21 ' NE2' ' A' ' 47' ' ' GLN . 53.8 tp -93.19 123.09 36.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 51.7 m -134.41 151.82 51.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.4 m -90.12 124.42 34.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.648 ' CD1' HG21 ' A' ' 69' ' ' VAL . 4.8 mt -112.04 121.69 45.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.462 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 8.7 mt-10 -101.53 111.84 24.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.438 ' CE1' HD13 ' A' ' 82' ' ' LEU . 96.6 m-85 -116.1 124.17 49.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.61 99.41 10.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.8 t -100.19 144.24 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -90.53 112.54 24.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 21.1 mtm -120.87 162.17 20.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.2 p -124.6 -57.33 1.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 30' ' ' GLN . 17.5 t -125.49 162.04 25.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.466 ' C ' ' O ' ' A' ' 29' ' ' CYS . 17.2 tp60 -32.94 -49.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 30' ' ' GLN . 13.2 t -33.03 -69.94 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 89.2 m -40.76 -40.81 1.41 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.651 HG13 HG11 ' A' ' 51' ' ' VAL . 90.7 t -71.84 -40.05 68.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -57.71 -34.84 69.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.05 -44.8 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.1 t -53.2 -46.53 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 41' ' ' GLN . 70.3 mtp180 -68.23 -57.02 6.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -53.2 -30.56 38.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.6 m -61.84 -37.67 85.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mt -123.93 20.04 9.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 37' ' ' ARG . 1.8 tt0 -71.8 112.86 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 43.94 40.74 5.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.6 t -91.99 145.21 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 111.116 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.93 124.0 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.7 -47.94 1.28 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.5 t -74.75 135.28 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.484 ' NE2' HD21 ' A' ' 18' ' ' LEU . 3.8 pt20 -106.02 -28.74 10.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.474 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 5.6 t70 -161.4 166.5 27.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 48' ' ' ASP . 42.2 t -156.93 118.76 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -107.17 123.15 47.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.651 HG11 HG13 ' A' ' 33' ' ' VAL . 53.3 t -105.57 133.41 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -125.7 106.25 9.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.6 tp -80.07 -28.7 39.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -60.55 -43.93 96.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -111.26 21.06 16.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 40.84 41.25 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.462 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 61.2 mmm -106.67 151.86 24.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.0 t -139.44 108.12 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.0 mp -91.31 158.8 16.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.1 t -152.74 104.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -87.44 99.19 11.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.416 HG21 ' CG2' ' A' ' 69' ' ' VAL . 9.6 t -143.7 161.94 37.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.2 p -87.28 4.94 40.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.157 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.4 mt -90.48 152.5 45.4 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.611 0.72 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.1 Cg_endo -69.71 140.03 41.85 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.357 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' PRO . 68.0 p -33.82 -64.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 66' ' ' SER . 14.6 pt20 -34.63 -46.71 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.34 -61.21 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.648 HG21 ' CD1' ' A' ' 21' ' ' LEU . 61.1 t -51.58 -47.0 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -47.64 -40.43 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.8 95.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.36 -30.87 71.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.4 mt -77.03 -36.26 56.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -69.56 -21.77 63.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.53 -29.85 75.86 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 58.6 p -66.73 -21.52 66.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 111.091 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.83 -10.48 34.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.06 172.07 8.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.742 0.306 . . . . 0.0 110.846 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -104.54 110.25 22.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.8 116.07 28.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.3 t -103.47 122.21 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.438 HD13 ' CE1' ' A' ' 23' ' ' PHE . 63.9 tp -72.46 121.51 19.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.816 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.857 0.36 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.1 tp -76.46 116.7 17.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.1 m -134.29 159.2 41.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.4 m -88.75 133.91 34.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 66' ' ' SER . 4.2 mt -126.58 109.87 12.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.468 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 10.8 mt-10 -84.58 129.52 34.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' A' ' 70' ' ' GLN . 57.0 m-85 -133.18 119.14 19.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.68 97.04 5.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.5 t -98.8 137.74 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -70.54 129.19 38.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.448 ' HB2' HD12 ' A' ' 53' ' ' LEU . 15.7 mtm -143.89 140.49 29.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 70.0 p -122.74 -24.66 4.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 1.9 t -146.2 159.21 43.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.467 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 34.6 tp60 -41.78 -42.17 2.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 34' ' ' ASP . 5.0 t -34.43 -70.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.99 ' O ' HG23 ' A' ' 36' ' ' VAL . 70.7 m -37.79 -44.21 0.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.687 HG13 HG11 ' A' ' 51' ' ' VAL . 41.8 t -62.18 -41.96 93.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.9 OUTLIER -57.35 -44.37 84.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.52 -43.23 56.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.99 HG23 ' O ' ' A' ' 32' ' ' CYS . 94.4 t -49.36 -44.63 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 41' ' ' GLN . 34.7 mtp85 -66.61 -55.88 13.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.425 ' C ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -51.02 -44.71 61.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 p -48.69 -29.49 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.437 ' O ' HG11 ' A' ' 46' ' ' VAL . 4.3 mt -132.69 20.66 4.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 37' ' ' ARG . 7.0 tt0 -74.75 119.2 18.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 39.35 37.56 0.78 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.8 t -86.58 143.63 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 111.165 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.33 108.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 111.0 -48.96 0.88 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.437 HG11 ' O ' ' A' ' 40' ' ' LEU . 41.5 t -65.4 125.77 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 0.0 111.175 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -102.57 -32.17 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 8.6 t0 -156.69 157.41 35.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.9 p -153.37 120.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -110.61 131.37 55.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.687 HG11 HG13 ' A' ' 33' ' ' VAL . 39.2 t -116.95 125.78 74.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -121.97 100.57 7.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.448 HD12 ' HB2' ' A' ' 27' ' ' MET . 8.0 tp -71.07 -25.98 62.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -60.62 -41.74 95.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 56' ' ' GLN . 1.4 m-20 -112.61 24.07 12.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 55' ' ' ASP . 16.8 mm-40 37.12 44.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 60.4 mmm -112.86 159.38 19.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.5 t -146.51 105.87 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.0 mp -86.96 159.0 19.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.404 ' CG2' HD13 ' A' ' 40' ' ' LEU . 80.1 t -152.62 107.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -89.77 93.58 9.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.0 t -142.2 163.48 32.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.2 p -84.86 -7.46 59.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.0 mt -77.88 152.31 79.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.624 0.726 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.5 Cg_endo -69.75 139.7 40.88 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.686 2.258 . . . . 0.0 112.312 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.581 ' HB3' HD22 ' A' ' 21' ' ' LEU . 35.3 p -34.19 -61.12 0.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 66' ' ' SER . 8.4 tt0 -35.04 -52.14 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -56.79 -61.77 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.462 ' HA ' HD12 ' A' ' 72' ' ' LEU . 98.5 t -49.5 -38.2 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.479 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 43.7 tt0 -64.02 -31.52 72.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.81 -32.93 63.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 69' ' ' VAL . 19.1 mt -72.51 -37.07 68.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.9 mt -66.13 -49.23 68.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -61.39 -23.82 66.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.01 -16.91 62.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.533 HG21 ' NH2' ' A' ' 78' ' ' ARG . 73.0 p -76.79 -24.1 52.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.847 0.356 . . . . 0.0 111.193 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.92 -36.77 3.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.62 ' HE ' HG22 ' A' ' 36' ' ' VAL . 6.6 ptt-85 -80.9 172.04 14.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.854 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -86.37 148.83 25.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.16 117.86 9.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.8 t -119.45 145.65 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.445 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 10.8 tp -82.75 137.51 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.842 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.813 0.339 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 tt -82.36 118.78 23.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.9 m -134.22 160.26 38.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.643 ' CG2' HD23 ' A' ' 59' ' ' LEU . 93.8 m -93.62 129.61 39.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.443 HD22 ' OG ' ' A' ' 66' ' ' SER . 2.1 mt -119.31 111.29 18.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.44 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 28.3 mt-10 -88.27 127.4 35.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.497 ' O ' ' N ' ' A' ' 58' ' ' VAL . 70.9 m-85 -132.35 128.84 38.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.511 ' HB2' ' HE3' ' A' ' 83' ' ' LYS . . . -85.25 94.57 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 78' ' ' ARG . 54.3 t -98.45 148.81 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -79.15 134.68 36.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 29.9 mtm -148.07 122.29 9.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.2 -34.82 10.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' GLN . 83.6 m -153.23 177.29 11.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.468 ' O ' ' C ' ' A' ' 31' ' ' SER . 38.5 tp60 -37.93 -56.8 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 30' ' ' GLN . 11.9 t -32.71 -70.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.535 ' O ' HG23 ' A' ' 36' ' ' VAL . 21.9 m -37.9 -46.39 0.95 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.828 HG13 HG11 ' A' ' 51' ' ' VAL . 99.7 t -65.27 -42.25 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 31' ' ' SER . 87.8 m-20 -53.0 -50.7 63.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.3 -48.71 80.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 32' ' ' CYS . 96.5 t -51.99 -50.54 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 41' ' ' GLN . 46.3 mtp180 -63.21 -58.63 6.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -51.27 -37.13 45.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 p -58.71 -34.46 71.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 mt -125.9 24.6 7.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 37' ' ' ARG . 5.1 tt0 -80.83 116.85 21.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.53 42.12 7.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 44' ' ' ALA . 78.0 t -96.12 133.95 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.52 124.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.76 -55.23 1.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.8 126.09 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.741 0.305 . . . . 0.0 111.194 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -100.53 -34.95 9.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 2.8 t70 -153.23 162.11 41.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 49' ' ' VAL . 2.8 p -156.99 111.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -99.33 134.13 42.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.828 HG11 HG13 ' A' ' 33' ' ' VAL . 62.0 t -116.91 111.82 36.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -103.89 108.35 19.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.3 tp -76.81 -33.49 57.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -52.22 -44.55 64.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.54 23.91 12.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 38.82 42.85 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.44 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 62.3 mmm -102.3 162.54 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.943 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' PHE . 62.8 t -148.3 105.15 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.643 HD23 ' CG2' ' A' ' 20' ' ' THR . 3.7 mp -88.24 151.32 22.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.6 t -141.47 105.28 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -86.24 90.8 8.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.411 HG21 ' CG2' ' A' ' 69' ' ' VAL . 6.4 t -138.88 163.53 32.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.6 p -91.26 9.61 30.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.7 mt -98.72 152.53 37.9 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.606 0.717 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.0 Cg_endo -69.68 145.23 56.95 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.715 2.276 . . . . 0.0 112.347 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' GLN . 67.0 m -36.33 -65.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' SER . 13.9 pt20 -34.53 -43.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 6.1 tt0 -62.0 -53.59 53.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.616 ' HA ' HD12 ' A' ' 72' ' ' LEU . 93.0 t -66.36 -56.53 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 69' ' ' VAL . 58.3 tt0 -36.93 -52.68 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.9 -47.15 81.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.068 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 69' ' ' VAL . 47.7 mt -54.77 -37.59 66.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.0 mt -67.1 -51.08 58.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -56.62 -23.02 38.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.51 -25.61 55.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.51 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 71.5 p -72.43 -17.65 61.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 111.093 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.7 -31.87 5.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.524 ' CZ ' HG22 ' A' ' 36' ' ' VAL . 4.9 ptt85 -80.79 172.8 13.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.745 0.307 . . . . 0.0 110.866 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -107.69 132.18 53.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -104.25 132.18 50.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.5 t -113.04 105.88 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.436 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 29.3 tp -58.99 139.75 56.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.511 ' HE3' ' HB2' ' A' ' 24' ' ' ALA . 66.8 mmtt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.592 HD21 ' HG2' ' A' ' 47' ' ' GLN . 18.1 tp -76.16 122.13 23.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 81.7 m -131.98 160.56 35.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.1 m -96.36 126.21 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.479 HD22 ' HB3' ' A' ' 66' ' ' SER . 2.1 mt -116.18 132.66 56.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -102.67 127.73 49.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 58' ' ' VAL . 63.6 m-85 -134.12 128.62 34.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.24 97.32 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.5 t -100.06 136.36 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -70.08 132.2 45.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.431 ' SD ' HG22 ' A' ' 33' ' ' VAL . 30.9 mtm -151.04 120.74 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 t -105.34 -32.79 8.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.5 p -131.39 -175.82 3.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 33' ' ' VAL . 44.3 tp60 -62.93 -53.56 52.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 30' ' ' GLN . 14.2 t -34.56 -59.22 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 65.6 m -46.24 -41.62 13.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.976 HG13 HG11 ' A' ' 51' ' ' VAL . 60.4 t -73.53 -37.21 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -60.07 -28.19 67.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' SER . . . -77.67 -48.84 15.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 72.9 t -50.3 -47.89 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.427 ' NH1' ' HB3' ' A' ' 37' ' ' ARG . 14.6 mtp-105 -71.03 -50.31 35.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HD3' ' C ' ' A' ' 38' ' ' LYS . 1.3 tmtp? -63.44 -19.69 64.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 35' ' ' ALA . 19.3 t -73.12 -36.84 66.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 mt -123.67 25.03 8.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.455 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.5 tt0 -53.84 106.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 41' ' ' GLN . . . 33.66 36.02 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' GLN . 75.3 t -75.37 145.81 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.123 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.91 139.42 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.54 -49.05 4.16 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.6 t -71.07 135.99 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.336 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.592 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -111.33 -30.08 7.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.418 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 4.8 t70 -155.68 156.54 35.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.3 t -153.24 114.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -103.8 149.28 25.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.976 HG11 HG13 ' A' ' 33' ' ' VAL . 89.5 t -136.37 124.28 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -116.97 106.03 12.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.5 tp -74.75 -21.98 59.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -66.69 -48.33 69.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.87 16.16 24.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 46.59 39.14 6.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 69.6 mmm -101.54 163.27 12.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 23' ' ' PHE . 42.5 t -155.53 107.7 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.3 mp -91.41 162.03 14.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.7 t -152.71 107.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -87.49 92.58 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.478 ' C ' HD12 ' A' ' 18' ' ' LEU . 10.1 t -139.45 163.45 32.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.6 p -85.51 -6.86 59.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.7 mt -79.99 152.38 74.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.587 0.708 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.2 Cg_endo -69.72 137.16 34.91 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.479 ' HB3' HD22 ' A' ' 21' ' ' LEU . 78.6 p -34.48 -62.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' SER . 55.1 mm-40 -37.07 -47.96 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -59.11 -59.84 4.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.431 ' HA ' HD12 ' A' ' 72' ' ' LEU . 93.6 t -51.36 -48.29 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -44.09 -48.45 8.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.97 -41.03 86.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 69' ' ' VAL . 44.3 mt -64.25 -31.52 72.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.8 mt -79.03 -23.86 44.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.961 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -79.3 -28.74 42.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.82 -17.89 63.45 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.481 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.2 p -75.41 -14.09 60.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.82 0.343 . . . . 0.0 111.103 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.28 -35.75 4.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.454 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.737 ' HE ' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -84.89 168.38 15.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.765 0.317 . . . . 0.0 110.894 -179.854 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -104.5 121.17 42.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -98.15 119.07 36.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.5 t -103.88 117.16 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.9 tp -58.12 118.63 5.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.826 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 17' ' ' THR . 9.0 t . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.814 0.34 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.655 HD13 ' OE1' ' A' ' 47' ' ' GLN . 1.3 tt -92.47 117.93 30.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -125.88 162.88 24.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.501 HG23 ' CD2' ' A' ' 61' ' ' HIS . 38.3 m -100.21 99.95 10.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 mt -77.86 119.69 21.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.592 ' HG3' HD13 ' A' ' 59' ' ' LEU . 11.1 mt-10 -93.48 115.07 27.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 76.8 m-85 -118.49 165.4 13.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.573 ' HB3' ' HB ' ' A' ' 81' ' ' VAL . . . -121.53 101.85 7.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.1 t -107.74 142.84 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.492 ' O ' ' CZ ' ' A' ' 78' ' ' ARG . 10.5 tt0 -88.05 110.89 20.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 24.6 mtm -112.62 161.34 16.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.5 p -113.84 -62.09 1.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.4 m -133.14 -174.98 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 31' ' ' SER . 35.3 tp60 -43.68 -56.38 3.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 30' ' ' GLN . 4.1 t -34.21 -70.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' SER . 2.7 m -36.33 -38.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.553 ' CG1' HG11 ' A' ' 51' ' ' VAL . 22.0 t -68.32 -48.23 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' SER . 3.1 m-20 -54.63 -38.31 66.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.71 -57.79 6.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.7 t -49.11 -40.67 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.497 ' NE ' HG12 ' A' ' 33' ' ' VAL . 87.0 mtm180 -69.64 -58.27 4.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -51.24 -37.36 46.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 p -58.97 -31.54 68.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.464 HD13 ' CG2' ' A' ' 60' ' ' VAL . 6.8 mt -128.27 23.82 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 37' ' ' ARG . 5.5 tt0 -81.96 113.42 19.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 52.02 37.55 45.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.412 ' O ' ' C ' ' A' ' 44' ' ' ALA . 93.6 t -90.42 143.95 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.373 . . . . 0.0 111.094 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -36.35 137.47 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.056 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.28 -43.21 2.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.8 t -68.54 137.8 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.655 ' OE1' HD13 ' A' ' 18' ' ' LEU . 6.2 pt20 -114.93 -29.32 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -159.15 156.94 29.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -147.57 113.73 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -104.99 112.24 25.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.776 HG23 HG22 ' A' ' 58' ' ' VAL . 11.8 p -107.32 113.76 44.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -105.4 117.17 33.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.0 tp -84.59 -26.88 27.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -62.34 -44.9 95.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 56' ' ' GLN . 4.5 m-20 -107.16 24.38 12.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 55' ' ' ASP . 6.9 mm-40 36.21 38.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 23' ' ' PHE . 54.7 mmm -110.27 152.15 26.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.79 ' C ' HD23 ' A' ' 59' ' ' LEU . 55.6 t -142.18 114.35 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.866 HD23 ' N ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -103.73 147.01 27.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.957 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.464 ' CG2' HD13 ' A' ' 40' ' ' LEU . 71.0 t -133.71 110.18 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.501 ' CD2' HG23 ' A' ' 20' ' ' THR . 9.0 m-70 -86.98 98.82 11.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.502 HG21 ' CG2' ' A' ' 69' ' ' VAL . 8.8 t -145.1 163.11 35.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.419 HG23 HD12 ' A' ' 18' ' ' LEU . 69.7 p -88.35 -0.3 57.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.466 HD13 ' OE2' ' A' ' 68' ' ' GLU . 12.9 mt -86.29 152.31 55.14 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.554 0.693 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.1 Cg_endo -69.69 143.57 51.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.355 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' PRO . 40.2 p -34.54 -66.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 66' ' ' SER . 14.1 pt20 -34.71 -41.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.466 ' OE2' HD13 ' A' ' 64' ' ' LEU . 10.5 tt0 -64.17 -55.28 22.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.528 ' HA ' HD12 ' A' ' 72' ' ' LEU . 82.4 t -65.28 -55.09 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 69' ' ' VAL . 39.5 tt0 -36.39 -52.56 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.95 -49.19 78.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 69' ' ' VAL . 32.2 mt -54.49 -29.59 50.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.4 mt -75.11 -45.32 41.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -61.21 -26.12 67.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.06 -24.39 42.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 62.1 p -69.2 -15.36 63.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 0.0 111.079 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.5 -19.52 28.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 26' ' ' GLN . 16.4 mtt-85 -96.82 172.57 7.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -103.49 140.8 37.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -118.2 122.36 42.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.573 ' HB ' ' HB3' ' A' ' 24' ' ' ALA . 50.6 t -103.78 111.91 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.175 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.542 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 20.3 tp -67.95 117.88 10.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.856 0.36 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.526 HD11 ' HG3' ' A' ' 47' ' ' GLN . 1.5 tt -108.82 124.99 51.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.466 ' N ' HD23 ' A' ' 18' ' ' LEU . 47.9 m -134.62 154.88 51.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.0 m -106.32 114.58 28.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.097 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.642 ' CD1' HG21 ' A' ' 69' ' ' VAL . 5.2 mt -95.8 147.32 23.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.472 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 9.9 mt-10 -121.27 103.86 9.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.44 ' HB3' ' HB1' ' A' ' 80' ' ' ALA . 86.7 m-85 -108.86 126.75 53.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.57 102.5 14.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.7 t -98.96 145.28 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -87.66 102.92 15.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.4 mtm -108.2 155.83 20.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.6 p -119.59 -44.92 2.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.167 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.3 p -139.89 179.64 6.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 31' ' ' SER . 8.8 tp-100 -48.88 -52.03 26.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' ASP . 27.9 t -34.43 -67.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.802 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.433 ' HA ' ' NH2' ' A' ' 78' ' ' ARG . 1.8 m -37.52 -45.8 0.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.73 HG13 HG11 ' A' ' 51' ' ' VAL . 90.7 t -63.07 -40.67 89.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 31' ' ' SER . 8.8 t0 -54.54 -52.71 61.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.19 -62.5 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.536 HG23 ' NH1' ' A' ' 78' ' ' ARG . 81.8 t -39.32 -49.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' GLN . 64.5 mtp180 -59.95 -54.79 41.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -53.17 -50.34 64.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.9 t -48.17 -26.09 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.845 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.484 HD13 ' CG2' ' A' ' 60' ' ' VAL . 7.3 mt -132.32 24.4 4.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 37' ' ' ARG . 52.4 tp60 -81.17 106.92 13.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.98 40.64 7.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.459 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.1 t -89.0 150.16 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.6 133.82 2.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.484 ' O ' ' NE2' ' A' ' 47' ' ' GLN . . . 88.74 -49.01 3.58 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.8 t -70.68 140.14 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 111.105 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.64 HE21 ' N ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -114.23 -29.05 7.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -158.54 156.31 29.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 70.0 t -150.15 125.11 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -113.52 131.03 56.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.73 HG11 HG13 ' A' ' 33' ' ' VAL . 57.5 t -116.33 127.16 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -124.36 103.07 8.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.4 tp -75.87 -30.83 59.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -53.94 -42.44 68.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.7 24.32 11.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 40.59 40.76 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.472 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 70.6 mmm -107.77 151.11 26.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.1 t -143.4 106.53 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.18 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.3 mp -89.78 160.81 16.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.954 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.484 ' CG2' HD13 ' A' ' 40' ' ' LEU . 93.1 t -152.77 105.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -82.45 101.28 10.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.645 HG21 ' CG2' ' A' ' 69' ' ' VAL . 5.9 t -144.13 153.99 42.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.8 p -83.58 8.79 13.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.3 mt -98.68 152.97 38.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.599 0.714 . . . . 0.0 110.966 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.1 Cg_endo -69.75 143.09 49.78 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 65' ' ' PRO . 0.4 OUTLIER -33.77 -62.54 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.484 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 9.8 pt20 -34.7 -48.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.484 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 6.0 tp10 -59.04 -62.82 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.645 ' CG2' HG21 ' A' ' 62' ' ' THR . 96.7 t -49.16 -47.99 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -44.26 -44.24 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.55 99.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 69' ' ' VAL . 26.7 mt -62.5 -39.31 93.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.0 mt -71.53 -51.87 21.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -53.3 -22.04 6.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.41 -16.53 58.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.2 p -84.88 10.51 11.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.4 -29.57 3.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.536 ' NH1' HG23 ' A' ' 36' ' ' VAL . 28.3 mtt180 -83.7 164.17 19.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 0.0 110.871 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -99.31 145.28 27.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.44 ' HB1' ' HB3' ' A' ' 23' ' ' PHE . . . -122.63 120.38 33.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.138 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.2 t -97.95 112.05 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.176 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.8 tp -63.71 126.75 28.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.851 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.2 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.815 0.341 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.4 tp -80.46 112.99 18.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 66.6 m -132.81 149.8 52.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.477 HG23 ' CD2' ' A' ' 61' ' ' HIS . 56.9 m -86.68 101.26 13.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.791 ' CD1' HG21 ' A' ' 69' ' ' VAL . 4.2 mt -82.18 120.94 25.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.548 ' HG3' HD13 ' A' ' 59' ' ' LEU . 6.5 mt-10 -93.4 128.74 39.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.429 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 59.8 m-85 -131.96 151.69 51.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.35 95.9 6.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.7 t -104.87 135.65 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -77.69 136.45 38.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.448 ' SD ' HG22 ' A' ' 33' ' ' VAL . 26.9 mtm -147.79 140.46 24.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.3 t -130.1 -40.71 1.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.5 p -121.15 162.44 20.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 31' ' ' SER . 44.0 tp60 -49.02 -55.8 10.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 30' ' ' GLN . 68.4 m -34.28 -57.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.6 m -46.57 -46.96 19.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.885 HG13 HG11 ' A' ' 51' ' ' VAL . 76.4 t -68.91 -46.16 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -50.64 -54.06 25.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.59 -63.77 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 72.6 t -40.55 -55.01 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' GLN . 50.0 mtp180 -54.79 -53.07 60.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -53.44 -51.52 62.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.9 p -50.97 -23.18 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 mt -131.67 25.12 4.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 37' ' ' ARG . 35.8 tp60 -81.93 108.81 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 43.08 40.52 4.35 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.0 t -88.99 147.6 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.39 143.43 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.07 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.86 -44.51 2.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.6 t -76.66 131.27 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -102.12 -32.81 9.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 21.5 m-20 -157.05 163.81 38.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.8 t -155.38 135.15 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -120.09 146.18 46.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.885 HG11 HG13 ' A' ' 33' ' ' VAL . 67.2 t -132.44 131.66 60.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -124.96 113.68 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.6 tp -76.41 -55.54 5.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -58.34 -37.07 74.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -91.92 -13.13 31.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 55.53 42.86 29.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.5 mmm -118.83 163.92 16.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.629 ' C ' HD23 ' A' ' 59' ' ' LEU . 71.2 t -154.99 106.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.875 HD23 ' N ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -94.18 148.02 22.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.946 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -134.7 104.43 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.477 ' CD2' HG23 ' A' ' 20' ' ' THR . 9.0 m-70 -80.51 88.94 5.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.468 HG21 HG22 ' A' ' 69' ' ' VAL . 6.1 t -137.91 157.57 46.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.2 p -81.91 2.45 30.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.3 mt -86.72 152.17 53.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.671 0.748 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.6 Cg_endo -69.72 140.73 43.52 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 65' ' ' PRO . 13.9 t -34.0 -63.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' SER . 17.8 pt20 -35.14 -53.22 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -55.96 -61.25 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.791 HG21 ' CD1' ' A' ' 21' ' ' LEU . 71.6 t -49.16 -40.41 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -60.38 -31.16 70.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.18 -37.38 66.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.02 -40.53 87.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 35.7 mt -64.87 -53.64 43.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 77' ' ' GLY . 26.2 mt-10 -50.62 -35.24 29.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -44.89 -24.85 0.82 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.483 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 66.7 p -93.24 26.13 3.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 111.145 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . 56.03 15.93 11.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 78' ' ' ARG . 5.8 mmp_? -91.64 169.56 10.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -110.27 97.77 7.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.96 113.95 25.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.072 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.4 t -112.74 104.57 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.429 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 13.5 tp -53.94 125.07 17.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.875 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.7 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.828 0.346 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.591 ' CA ' HG22 ' A' ' 63' ' ' THR . 66.2 tp -68.12 123.36 20.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -133.73 162.82 30.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.554 ' CG2' HD23 ' A' ' 59' ' ' LEU . 29.2 m -99.55 128.8 45.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.419 HD22 ' HB3' ' A' ' 66' ' ' SER . 5.6 mt -117.48 122.35 43.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.473 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 26.2 mt-10 -104.0 119.35 38.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 58' ' ' VAL . 66.4 m-85 -123.34 132.99 54.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.607 ' HB2' ' HG3' ' A' ' 83' ' ' LYS . . . -86.61 95.76 9.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.4 t -103.84 148.32 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -80.32 135.9 36.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 33.7 mtm -152.33 125.1 8.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 t -108.67 -43.85 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.6 t -125.11 151.75 45.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 31' ' ' SER . 7.4 tp60 -37.75 -41.26 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 30' ' ' GLN . 5.0 m -34.42 -51.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.511 ' O ' HG23 ' A' ' 36' ' ' VAL . 85.2 m -56.43 -54.5 44.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.7 t -51.67 -39.21 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.95 -45.54 91.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.82 -41.66 78.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 32' ' ' CYS . 88.6 t -62.47 -47.67 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 41' ' ' GLN . 45.2 mtp180 -65.85 -47.58 74.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -61.78 -41.88 98.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.6 p -56.03 -26.68 50.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.457 ' CB ' HG21 ' A' ' 49' ' ' VAL . 7.4 mt -130.74 22.87 5.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 37' ' ' ARG . 32.2 tp60 -77.04 115.6 16.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' GLN . . . 38.44 45.89 1.94 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 44' ' ' ALA . 78.5 t -96.89 147.17 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -33.96 130.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.71 -55.67 5.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.541 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.8 t -62.46 127.3 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 111.071 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.449 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -100.07 -33.21 10.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.449 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 1.5 t70 -160.39 158.84 30.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.457 HG21 ' CB ' ' A' ' 40' ' ' LEU . 37.3 t -150.96 112.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -99.51 140.5 33.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.0 t -122.29 131.96 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -123.6 98.31 5.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.2 tp -68.02 -26.9 66.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -59.16 -43.06 92.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -114.75 22.09 13.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 38.98 44.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 78.5 mmm -106.0 158.32 16.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 23' ' ' PHE . 55.0 t -139.94 109.78 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.554 HD23 ' CG2' ' A' ' 20' ' ' THR . 1.9 mp -92.69 147.51 22.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.0 t -140.41 105.15 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -86.38 88.74 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.7 t -138.57 159.99 40.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.591 HG22 ' CA ' ' A' ' 18' ' ' LEU . 57.2 p -88.0 2.72 51.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.0 mt -87.76 152.19 51.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.645 0.736 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.0 Cg_endo -69.71 137.54 35.86 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' PRO . 57.0 p -35.6 -65.58 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 66' ' ' SER . 13.2 pt20 -34.47 -41.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 9.1 tt0 -66.73 -54.11 26.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.469 ' HA ' HD12 ' A' ' 72' ' ' LEU . 86.7 t -61.28 -53.03 54.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 69' ' ' VAL . 47.9 tt0 -33.49 -52.83 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.32 -46.2 86.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 69' ' ' VAL . 95.4 mt -51.9 -42.32 62.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mt -68.5 -41.02 80.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -61.05 -30.85 70.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.24 -27.73 53.14 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.405 ' HB ' ' NH2' ' A' ' 78' ' ' ARG . 68.6 p -69.32 -22.39 63.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 111.183 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.22 -32.58 5.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.405 ' NH2' ' HB ' ' A' ' 76' ' ' THR . 23.4 mtm-85 -80.81 165.91 21.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -103.59 121.59 43.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.415 ' HB1' ' HB3' ' A' ' 23' ' ' PHE . . . -97.83 110.98 23.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.1 t -101.18 105.79 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 22' ' ' GLU . 24.2 tp -50.24 134.39 22.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.607 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 35.0 mmtm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.799 0.333 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.594 HD21 ' HG2' ' A' ' 47' ' ' GLN . 11.9 tp -58.07 122.63 13.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.4 m -131.47 138.0 48.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.577 HG21 HD13 ' A' ' 59' ' ' LEU . 59.9 m -84.7 125.49 32.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.544 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -111.11 112.38 24.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.495 ' HB3' ' HE1' ' A' ' 57' ' ' MET . 5.7 mt-10 -79.78 104.81 10.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.546 ' CE1' ' HG ' ' A' ' 82' ' ' LEU . 59.9 m-85 -112.7 115.32 28.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.46 97.18 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.8 t -97.37 131.14 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -79.48 107.38 12.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 8.8 mtm -100.42 165.84 11.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.0 p -133.4 -39.45 0.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.1 p -152.64 176.05 12.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 31' ' ' SER . 46.0 tp60 -43.67 -56.07 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 34' ' ' ASP . 6.8 t -34.25 -66.69 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.429 ' O ' HG23 ' A' ' 36' ' ' VAL . 20.9 m -38.55 -48.79 1.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.674 HG13 HG11 ' A' ' 51' ' ' VAL . 79.3 t -59.71 -37.06 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 31' ' ' SER . 7.4 t0 -64.07 -45.56 88.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.01 -34.64 78.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.763 HG23 HH12 ' A' ' 78' ' ' ARG . 55.7 t -64.68 -45.86 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 41' ' ' GLN . 66.3 mtp85 -71.16 -46.94 60.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -62.61 -45.7 91.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.3 p -55.3 -19.77 9.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 mt -134.44 23.81 3.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 37' ' ' ARG . 54.4 tp60 -85.98 114.75 23.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 50.41 46.74 44.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.5 t -98.92 141.66 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.867 0.365 . . . . 0.0 111.082 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -43.37 130.8 4.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.46 -50.83 2.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 83.7 t -71.2 147.24 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.125 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.594 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -116.7 -31.57 5.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.412 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 15.5 t0 -153.72 165.13 36.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.3 p -156.89 112.02 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -103.17 121.35 42.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.674 HG11 HG13 ' A' ' 33' ' ' VAL . 11.6 p -105.74 107.62 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -101.03 99.48 9.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.3 tp -72.72 -33.0 66.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -54.94 -59.27 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.2 22.1 6.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 39.07 46.81 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.495 ' HE1' ' HB3' ' A' ' 22' ' ' GLU . 69.4 mmm -119.97 156.76 30.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.5 t -143.77 115.19 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.577 HD13 HG21 ' A' ' 20' ' ' THR . 3.4 mt -101.1 135.12 43.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.9 t -124.16 104.05 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -79.23 89.12 4.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.576 HG21 ' CG2' ' A' ' 69' ' ' VAL . 7.5 t -136.88 157.57 46.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 60.4 p -79.94 -13.88 59.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.1 mt -76.79 152.15 82.7 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.589 0.709 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.82 51.91 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.312 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 68' ' ' GLU . 2.9 m -40.27 -63.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 66' ' ' SER . 18.0 pt20 -34.6 -34.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 66' ' ' SER . 3.4 tp10 -73.3 -60.25 2.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.576 ' CG2' HG21 ' A' ' 62' ' ' THR . 76.6 t -53.79 -37.91 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -51.2 -32.65 24.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.45 -39.71 45.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.9 mt -66.67 -28.97 68.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.6 mt -75.17 -48.52 23.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 77' ' ' GLY . 26.1 mt-10 -54.29 -30.89 52.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -42.07 -24.73 0.2 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 74' ' ' GLU . 63.4 p -86.17 24.41 1.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.806 0.336 . . . . 0.0 111.147 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . 57.19 35.32 69.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.763 HH12 HG23 ' A' ' 36' ' ' VAL . 31.2 mtp180 -131.81 171.33 13.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.885 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -104.81 135.43 46.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -121.02 111.39 17.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.12 118.75 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.178 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.546 ' HG ' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -76.4 121.2 22.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.437 ' N ' HD23 ' A' ' 82' ' ' LEU . 24.8 mmtp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.819 0.342 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.686 HD21 ' HG2' ' A' ' 47' ' ' GLN . 14.2 tp -68.81 128.09 35.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.0 p -128.69 154.14 46.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.0 m -102.99 125.92 49.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.66 HD22 ' HB3' ' A' ' 66' ' ' SER . 2.7 mt -116.15 119.05 34.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.45 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 21.2 mt-10 -101.18 103.59 14.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.64 ' HB3' ' HB1' ' A' ' 80' ' ' ALA . 79.0 m-85 -105.12 137.03 43.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.77 97.87 11.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.455 ' CG1' ' CD ' ' A' ' 78' ' ' ARG . 48.0 t -98.61 147.33 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -90.77 118.42 30.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.1 mtm -132.33 138.29 47.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.3 p -107.81 -60.56 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.171 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 30' ' ' GLN . 2.6 t -107.01 149.26 27.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 29' ' ' CYS . 22.5 tp60 -33.65 -41.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 34' ' ' ASP . 18.0 p -34.38 -69.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' SER . 74.1 m -36.52 -46.53 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.562 HG21 ' HB2' ' A' ' 53' ' ' LEU . 67.6 t -61.72 -40.76 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' SER . 7.1 m-20 -59.67 -41.72 91.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.74 -54.77 9.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.7 t -41.47 -44.88 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' GLN . 59.7 mtm180 -67.41 -54.46 20.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -54.77 -31.26 58.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.7 t -60.8 -35.67 77.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.531 ' HB2' HG21 ' A' ' 49' ' ' VAL . 4.1 mt -126.73 20.57 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 37' ' ' ARG . 14.6 tt0 -71.23 110.05 5.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 45.05 44.77 9.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' ALA . 79.4 t -96.28 143.89 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.862 0.363 . . . . 0.0 111.091 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -36.35 141.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.02 -52.63 4.27 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.3 t -64.85 137.02 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.686 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -109.03 -33.22 6.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.434 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 8.7 t0 -158.5 154.29 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.531 HG21 ' HB2' ' A' ' 40' ' ' LEU . 76.1 t -147.79 115.86 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -106.98 112.44 25.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 51' ' ' VAL . 9.3 p -104.5 124.05 58.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -117.55 104.85 11.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.562 ' HB2' HG21 ' A' ' 33' ' ' VAL . 4.5 tp -71.6 -29.73 65.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -57.64 -48.58 79.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 56' ' ' GLN . 1.2 m-20 -103.4 25.17 9.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 55' ' ' ASP . 8.1 mm-40 34.45 45.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.45 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 54.9 mmm -114.35 158.01 22.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.6 t -140.49 112.59 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.516 ' O ' HG13 ' A' ' 49' ' ' VAL . 3.4 mp -97.13 153.2 18.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.5 t -151.5 104.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -87.7 95.11 9.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.463 HG21 ' CG2' ' A' ' 69' ' ' VAL . 8.8 t -141.94 159.56 41.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.0 p -79.09 -12.11 60.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.578 HD13 ' OE2' ' A' ' 68' ' ' GLU . 20.3 mt -74.06 151.92 88.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.658 0.742 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 146.42 60.61 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.723 2.282 . . . . 0.0 112.379 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.66 ' HB3' HD22 ' A' ' 21' ' ' LEU . 60.3 p -45.98 -34.79 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -62.94 -37.01 85.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.578 ' OE2' HD13 ' A' ' 64' ' ' LEU . 10.5 tt0 -71.68 -50.23 32.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.911 ' HA ' HD12 ' A' ' 72' ' ' LEU . 48.3 t -62.04 -46.25 96.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -41.76 -54.87 3.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.24 97.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.911 HD12 ' HA ' ' A' ' 69' ' ' VAL . 22.1 mt -56.58 -29.73 62.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.3 mt -79.68 -51.37 9.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -52.39 -22.14 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.25 -7.75 20.36 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.5 p -91.11 -3.23 57.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 0.0 111.18 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.21 -48.95 0.88 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.455 ' CD ' ' CG1' ' A' ' 25' ' ' VAL . 6.7 ptp85 -80.77 172.56 13.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 110.844 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 80' ' ' ALA . 66.0 tt0 -102.81 164.67 11.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.64 ' HB1' ' HB3' ' A' ' 23' ' ' PHE . . . -133.01 111.71 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.433 HG12 ' HE2' ' A' ' 83' ' ' LYS . 85.9 t -96.42 104.83 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.554 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 9.5 tp -55.44 133.66 50.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.433 ' HE2' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.852 0.358 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.734 HD21 ' HG2' ' A' ' 47' ' ' GLN . 13.6 tp -71.54 124.02 23.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.8 m -131.34 147.31 52.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.615 HG21 HD13 ' A' ' 59' ' ' LEU . 25.2 m -94.56 125.78 39.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.552 HD22 ' N ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -111.43 109.99 20.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.485 ' HG2' HD21 ' A' ' 59' ' ' LEU . 13.4 mt-10 -78.38 110.58 13.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 21' ' ' LEU . 61.7 m-85 -117.8 114.84 23.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.43 97.52 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.477 HG11 ' HD2' ' A' ' 78' ' ' ARG . 91.7 t -97.25 134.86 33.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -83.62 105.27 14.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.1 mtm -119.63 150.39 40.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.5 p -121.43 -48.15 2.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' GLN . 1.4 t -124.72 152.33 43.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' VAL . 15.9 tp60 -35.23 -44.07 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' GLN . 12.4 m -34.09 -55.99 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.94 ' O ' HG23 ' A' ' 36' ' ' VAL . 7.3 m -56.91 -44.47 82.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.711 HG13 HG21 ' A' ' 51' ' ' VAL . 53.4 t -60.66 -43.93 95.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -55.77 -52.0 65.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.64 -38.0 89.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.94 HG23 ' O ' ' A' ' 32' ' ' CYS . 98.9 t -59.34 -49.85 81.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.548 ' NE ' HG12 ' A' ' 51' ' ' VAL . 55.1 mtt180 -68.42 -51.98 37.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 41' ' ' GLN . 42.9 tttt -55.6 -44.85 77.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.6 p -50.38 -27.56 6.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 mt -129.82 17.61 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 37' ' ' ARG . 22.3 tt0 -79.54 106.75 11.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.36 42.0 98.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 44' ' ' ALA . 78.3 t -101.47 136.79 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.352 . . . . 0.0 111.076 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -35.89 138.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.26 -50.67 4.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.2 t -71.67 138.7 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.756 0.312 . . . . 0.0 111.177 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.734 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -109.76 -37.43 5.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 10.1 m-20 -153.41 156.26 37.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.3 p -150.85 116.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.504 ' OE1' ' CD2' ' A' ' 61' ' ' HIS . 16.3 mp0 -101.75 143.46 31.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.711 HG21 HG13 ' A' ' 33' ' ' VAL . 2.8 p -129.19 107.14 14.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -101.96 102.09 12.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.6 tp -71.89 -30.42 65.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -59.27 -47.66 84.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 56' ' ' GLN . 3.6 m-20 -104.92 22.88 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 55' ' ' ASP . 4.3 mm-40 37.26 44.48 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.458 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 47.6 mmm -116.35 157.98 24.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.4 t -148.23 115.8 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.148 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.615 HD13 HG21 ' A' ' 20' ' ' THR . 3.4 mt -99.51 145.0 27.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.2 t -132.95 99.16 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.504 ' CD2' ' OE1' ' A' ' 50' ' ' GLU . 7.8 m-70 -74.75 88.92 2.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.543 HG21 ' CG2' ' A' ' 69' ' ' VAL . 5.2 t -136.66 155.04 50.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.7 p -80.72 -9.11 59.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.7 mt -78.6 152.27 77.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.592 0.711 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.7 Cg_endo -69.79 139.83 41.07 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 65' ' ' PRO . 7.8 t -34.1 -64.32 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 66' ' ' SER . 15.5 pt20 -35.36 -46.57 0.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 22.7 tt0 -60.07 -57.53 12.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.783 ' HA ' HD12 ' A' ' 72' ' ' LEU . 55.2 t -58.14 -55.55 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 69' ' ' VAL . 48.1 tt0 -34.46 -47.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.11 -46.91 82.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.057 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 69' ' ' VAL . 25.2 mt -54.38 -27.95 39.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.0 mt -79.31 -42.33 25.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.942 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -62.89 -20.52 65.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.49 -27.67 72.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.451 ' OG1' ' CZ ' ' A' ' 78' ' ' ARG . 82.6 p -71.37 -24.74 62.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 111.171 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.24 -39.17 1.94 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.815 ' HE ' HG22 ' A' ' 36' ' ' VAL . 5.0 ptt-85 -80.69 172.23 14.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 110.877 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -102.84 153.75 19.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.416 ' HB1' ' HB3' ' A' ' 23' ' ' PHE . . . -133.06 110.13 10.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.7 t -98.18 126.67 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.2 tp -76.18 116.67 17.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.776 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.797 0.332 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 tt -94.86 121.22 36.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.3 m -134.39 154.35 51.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.3 m -90.24 106.08 18.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.782 HD22 ' HB3' ' A' ' 66' ' ' SER . 4.1 mt -82.47 122.18 27.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.474 ' HG2' HD21 ' A' ' 59' ' ' LEU . 15.0 mt-10 -93.75 112.03 23.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.468 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 64.8 m-85 -116.81 154.13 31.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.79 96.03 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.9 t -102.64 136.53 34.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -87.17 116.11 25.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 13.7 mtm -117.57 169.58 9.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.8 p -128.78 -53.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.6 p -135.19 -179.06 5.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' VAL . 3.6 tm0? -50.94 -51.89 47.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' GLN . 14.8 m -36.57 -51.08 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.447 ' SG ' ' NH2' ' A' ' 78' ' ' ARG . 13.2 m -55.68 -41.97 74.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 30' ' ' GLN . 78.7 t -63.27 -42.66 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -57.84 -49.6 76.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.52 -60.7 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.063 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.2 t -45.64 -47.25 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.509 ' HG3' HG21 ' A' ' 51' ' ' VAL . 60.6 mtt-85 -62.17 -57.6 10.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -51.43 -35.97 41.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.432 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 35.7 t -58.9 -27.99 65.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.456 HD21 ' HB2' ' A' ' 72' ' ' LEU . 5.9 mt -131.14 19.95 4.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 37' ' ' ARG . 12.4 tt0 -79.6 113.36 17.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 54.32 40.12 67.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.438 HG21 ' HA ' ' A' ' 40' ' ' LEU . 59.8 t -93.57 136.64 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.322 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -39.09 124.72 1.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.6 -52.82 0.85 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.8 t -64.67 137.85 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.344 . . . . 0.0 111.1 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.476 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 4.0 pt20 -109.12 -29.42 8.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 10.9 m-20 -161.75 159.49 27.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -152.28 133.62 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -125.88 131.15 52.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.509 HG21 ' HG3' ' A' ' 37' ' ' ARG . 48.7 t -112.56 118.27 57.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -109.01 99.58 8.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 52.7 tp -73.03 -23.17 60.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -64.19 -39.99 95.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -116.97 27.09 9.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 55' ' ' ASP . 10.7 mm-40 36.71 37.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.5 mmm -108.89 153.06 24.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 42.0 t -139.68 111.24 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.474 HD21 ' HG2' ' A' ' 22' ' ' GLU . 2.8 mt -94.74 135.66 35.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.8 t -128.84 109.36 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -85.29 96.37 9.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.478 HG21 ' CG2' ' A' ' 69' ' ' VAL . 7.0 t -144.64 158.92 43.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.1 p -85.17 -2.26 57.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.406 HD13 ' OE2' ' A' ' 68' ' ' GLU . 5.0 mt -84.26 152.7 61.79 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.62 0.724 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 68' ' ' GLU . 54.0 Cg_endo -69.72 138.14 37.26 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.381 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.782 ' HB3' HD22 ' A' ' 21' ' ' LEU . 1.9 p -36.6 -39.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -55.7 -46.46 77.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' PRO . 12.8 tt0 -62.31 -55.35 29.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.478 ' CG2' HG21 ' A' ' 62' ' ' THR . 88.2 t -54.88 -50.47 61.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -38.14 -54.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.74 -48.38 72.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.456 ' HB2' HD21 ' A' ' 40' ' ' LEU . 62.4 mt -54.52 -38.07 66.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.435 ' HG ' HD11 ' A' ' 40' ' ' LEU . 11.7 mt -70.42 -49.67 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -54.59 -26.45 32.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -49.34 -30.89 12.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.438 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 47.7 p -83.24 19.64 1.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.352 . . . . 0.0 111.116 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.53 32.3 80.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.447 ' NH2' ' SG ' ' A' ' 32' ' ' CYS . 67.3 mtt-85 -119.04 168.86 10.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.799 0.333 . . . . 0.0 110.846 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -111.31 108.28 17.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.11 112.58 24.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.1 t -103.48 112.42 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 22' ' ' GLU . 23.7 tp -65.47 120.17 12.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.991 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 17' ' ' THR . 10.3 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.801 0.334 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.677 HD13 ' OE1' ' A' ' 47' ' ' GLN . 1.8 tt -89.6 138.78 31.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.8 m -134.37 164.79 26.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.1 m -99.13 121.96 41.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.09 125.82 54.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -99.05 142.97 29.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -141.86 130.97 23.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.41 95.17 9.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.0 t -99.36 141.99 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -89.79 101.88 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.4 mtm -95.54 166.01 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.5 p -131.32 -53.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.4 p -133.39 179.17 6.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' VAL . 41.4 tp60 -48.73 -56.54 8.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 30' ' ' GLN . 36.9 t -34.39 -61.7 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 36.4 m -41.55 -43.33 2.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.487 HG13 ' CG2' ' A' ' 51' ' ' VAL . 60.2 t -67.92 -34.79 69.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' SER . 5.7 t0 -61.53 -52.69 63.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.33 -50.93 71.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.437 ' HA ' ' NH2' ' A' ' 78' ' ' ARG . 26.0 t -41.92 -52.06 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 41' ' ' GLN . 37.7 mtp85 -69.59 -53.31 19.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -52.28 -25.67 10.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.2 p -73.96 -26.47 60.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mt -132.39 24.06 4.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.949 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 37' ' ' ARG . 12.5 pt20 -80.61 120.3 24.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 40.3 49.65 3.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 41' ' ' GLN . 99.2 t -108.06 136.4 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -35.28 134.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.32 -50.28 3.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.6 t -72.49 117.32 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 111.122 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.677 ' OE1' HD13 ' A' ' 18' ' ' LEU . 6.4 pt20 -91.52 -29.76 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -161.7 161.99 29.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 59' ' ' LEU . 7.6 p -153.63 136.53 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -122.36 130.77 53.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.525 ' O ' HG13 ' A' ' 51' ' ' VAL . 7.7 p -122.35 110.75 27.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.075 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -105.5 122.24 45.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.7 tp -84.67 -50.45 7.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -55.9 -31.06 62.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -103.87 4.84 35.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 43.12 37.02 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 65.9 mmm -112.64 162.38 15.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.426 HG22 HG23 ' A' ' 51' ' ' VAL . 19.3 t -151.77 105.72 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.509 ' O ' HG23 ' A' ' 49' ' ' VAL . 5.4 mp -89.92 162.53 15.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.8 t -152.71 105.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -86.93 97.45 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.457 HG21 ' CG2' ' A' ' 69' ' ' VAL . 8.9 t -145.09 163.14 35.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.2 p -87.03 3.11 47.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -90.34 152.24 45.39 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.553 0.692 . . . . 0.0 110.951 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 67' ' ' GLN . 54.5 Cg_endo -69.73 135.45 30.54 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.716 2.277 . . . . 0.0 112.374 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.471 ' HB2' HD12 ' A' ' 82' ' ' LEU . 3.4 p -34.31 -33.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' PRO . 5.3 tt0 -58.64 -54.31 48.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -57.11 -51.85 67.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.573 ' HA ' HD12 ' A' ' 72' ' ' LEU . 46.5 t -57.0 -48.27 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -46.05 -41.85 12.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.38 -37.27 82.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 69' ' ' VAL . 56.2 mt -63.83 -37.78 88.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.6 mt -71.97 -45.82 59.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -61.79 -21.2 64.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.36 -31.94 67.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.729 HG21 ' CZ ' ' A' ' 78' ' ' ARG . 68.1 p -68.68 -21.76 64.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.848 0.356 . . . . 0.0 111.146 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.91 12.72 29.23 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.455 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.729 ' CZ ' HG21 ' A' ' 76' ' ' THR . 7.0 ptt180 -104.51 172.82 6.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.752 0.31 . . . . 0.0 110.868 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -104.66 110.38 22.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.51 123.88 50.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.9 t -119.85 117.36 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.723 HD23 ' N ' ' A' ' 83' ' ' LYS . 1.3 tt -67.69 137.53 55.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.723 ' N ' HD23 ' A' ' 82' ' ' LEU . 30.3 mmtp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -169.64 140.76 2.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.892 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -147.17 163.97 34.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.74 119.63 0.76 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -156.84 166.14 34.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.816 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -160.68 164.41 31.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.67 71.83 0.25 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 34.1 mtt -117.66 145.21 44.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.792 0.329 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.51 116.45 17.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.9 p -43.45 139.1 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -96.63 99.41 11.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.1 p -145.54 112.27 5.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.26 114.89 0.65 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -113.19 123.55 50.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.319 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -131.83 104.01 6.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -164.28 121.66 1.03 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.3 t -161.12 129.75 4.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 0.0 111.18 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.61 HD21 ' HG2' ' A' ' 47' ' ' GLN . 47.8 tp -85.73 122.92 30.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.8 m -133.65 164.92 26.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.5 m -95.79 132.58 40.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.0 mt -120.52 119.64 33.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -93.73 118.82 31.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -123.06 127.68 49.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.54 96.08 10.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.5 t -99.23 129.9 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -78.09 107.35 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.3 mtm -105.74 163.73 12.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.3 p -129.56 -59.35 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 16.7 p -125.88 174.66 8.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' SER . 63.3 tp60 -44.27 -54.17 5.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' GLN . 31.7 t -34.64 -61.9 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.451 ' O ' HG23 ' A' ' 36' ' ' VAL . 27.2 m -47.5 -43.13 24.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 30' ' ' GLN . 59.0 t -68.5 -32.68 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.34 -35.51 63.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.59 -45.92 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 32' ' ' CYS . 42.8 t -56.3 -43.92 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.165 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.571 ' HG3' HG21 ' A' ' 51' ' ' VAL . 70.7 mtp180 -67.24 -48.06 68.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.454 ' HA ' ' CB ' ' A' ' 41' ' ' GLN . 13.1 ttmt -58.5 -44.76 89.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.4 p -48.22 -24.36 1.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mt -133.31 18.18 4.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.454 ' CB ' ' HA ' ' A' ' 38' ' ' LYS . 13.2 tt0 -80.11 114.73 19.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 48.22 48.18 26.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.436 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 44' ' ' ALA . 94.2 t -105.3 136.77 37.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 111.137 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.31 124.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.12 -57.48 1.22 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.489 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.0 t -59.68 130.76 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.328 . . . . 0.0 111.149 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.61 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -107.21 -29.42 9.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -160.9 155.89 24.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 70.2 t -152.58 123.62 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -110.11 132.43 54.18 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.571 HG21 ' HG3' ' A' ' 37' ' ' ARG . 97.5 t -121.64 116.86 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -110.27 110.44 21.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tp -78.02 -19.89 53.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -67.87 -41.67 82.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.32 25.15 11.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 38.98 36.63 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.0 mmm -102.0 160.65 14.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.449 HG13 HG22 ' A' ' 51' ' ' VAL . 96.5 t -154.79 105.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.106 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -86.54 162.15 18.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 81.7 t -152.58 108.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -89.31 92.41 9.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.475 HG21 ' CG2' ' A' ' 69' ' ' VAL . 9.8 t -138.26 160.6 39.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.3 p -81.13 -13.0 59.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.4 mt -80.38 152.86 73.68 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.597 0.713 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 160.24 50.44 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.4 p -57.02 -35.91 69.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -62.9 -25.46 68.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -82.6 -49.42 9.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.475 ' CG2' HG21 ' A' ' 62' ' ' THR . 98.1 t -66.86 -38.77 82.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -47.71 -46.65 29.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.93 97.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.6 mt -62.81 -32.84 74.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.57 -40.91 56.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.97 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -68.11 -22.84 64.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.57 -23.18 64.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.9 p -71.57 -24.28 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 111.143 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.97 -11.29 15.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -96.57 168.27 10.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.319 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -98.45 115.16 27.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -98.17 116.1 29.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.8 t -108.9 128.98 64.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 42.9 tp -72.99 123.02 22.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.74 17.05 7.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 165.3 110.48 0.23 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.0 ttt -110.11 43.68 1.33 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 174.94 171.77 39.32 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.2 m -141.36 162.65 34.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.386 . . . . 0.0 110.91 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 177.7 130.96 1.45 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.532 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -127.15 133.28 50.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.356 . . . . 0.0 110.921 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.9 mt -112.64 115.94 29.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -89.18 163.72 15.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -138.02 133.65 33.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.6 m -105.23 154.9 19.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.92 155.99 10.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 149.07 66.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.257 . . . . 0.0 112.395 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.7 m -101.21 157.73 16.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.6 t -86.86 112.33 21.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 t -170.31 139.53 1.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 t -136.55 145.2 44.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.85 129.72 9.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.425 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 t -66.31 89.35 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.805 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.0 p -48.73 -44.35 38.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.796 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.84 -159.91 49.9 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.6 ttt -157.84 118.26 3.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.98 158.98 15.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.3 p -117.0 121.43 41.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.49 112.58 22.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.2 m -70.13 149.37 47.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -130.37 71.66 0.49 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -108.13 133.44 52.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.751 0.31 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -150.13 166.83 28.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.98 -51.79 0.84 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.1 m -45.0 99.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.809 0.338 . . . . 0.0 111.168 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.447 HD11 ' CG ' ' A' ' 47' ' ' GLN . 2.1 tt -100.25 125.23 46.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.2 m -133.9 163.39 29.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.7 m -94.52 134.07 37.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.507 HD22 ' OG ' ' A' ' 66' ' ' SER . 16.1 mt -120.76 126.99 51.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -101.82 108.16 19.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -111.42 127.04 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.436 ' CB ' ' HE3' ' A' ' 83' ' ' LYS . . . -87.42 97.12 10.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.066 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.8 t -99.66 137.09 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -88.64 103.57 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 18.9 mtm -100.69 170.02 8.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.2 p -129.72 -48.63 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.7 p -140.16 175.29 9.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 31' ' ' SER . 9.2 tp-100 -43.73 -56.46 3.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' GLN . 14.9 t -34.57 -62.95 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.749 ' O ' HG23 ' A' ' 36' ' ' VAL . 17.6 m -40.46 -43.74 1.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.627 HG13 HG11 ' A' ' 51' ' ' VAL . 55.5 t -65.84 -41.01 89.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.125 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.64 -49.95 75.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.07 -54.89 35.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 32' ' ' CYS . 86.9 t -47.71 -45.65 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' GLN . 12.0 mtp-105 -66.77 -54.55 21.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -53.76 -32.02 50.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.1 p -67.4 -21.83 65.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.811 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.523 HD11 ' CD2' ' A' ' 73' ' ' LEU . 6.9 mt -134.73 20.99 3.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -81.11 116.97 21.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 42.58 36.92 2.47 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 44' ' ' ALA . 89.5 t -87.11 141.46 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 111.13 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.88 117.02 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.059 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.28 -49.73 1.04 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.441 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.8 t -69.6 123.55 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.447 ' CG ' HD11 ' A' ' 18' ' ' LEU . 5.7 pt20 -98.37 -25.69 14.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -164.98 159.81 18.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 59' ' ' LEU . 3.8 p -155.75 132.51 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -117.41 144.05 45.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.627 HG11 HG13 ' A' ' 33' ' ' VAL . 96.6 t -129.95 113.7 27.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -109.6 103.19 12.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.9 tp -70.16 -34.96 73.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -49.92 -45.38 50.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 56' ' ' GLN . 1.0 OUTLIER -114.91 27.93 9.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' ASP . 3.3 mm-40 37.72 39.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.1 mmm -102.87 159.01 15.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.46 HG22 HG13 ' A' ' 51' ' ' VAL . 96.3 t -155.48 106.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.558 ' O ' HG23 ' A' ' 49' ' ' VAL . 5.1 mp -86.74 158.56 19.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 87.8 t -146.7 104.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -88.1 97.58 11.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.447 HG21 ' CG2' ' A' ' 69' ' ' VAL . 12.7 t -144.86 162.87 35.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.9 p -86.98 0.49 55.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.089 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.4 mt -90.29 152.88 46.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.622 0.725 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 144.77 54.87 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.328 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.507 ' OG ' HD22 ' A' ' 21' ' ' LEU . 66.4 m -44.18 -34.12 1.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -59.26 -51.57 69.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -60.47 -53.54 56.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.447 ' CG2' HG21 ' A' ' 62' ' ' THR . 77.3 t -56.73 -45.6 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -47.77 -42.71 26.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.96 90.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.09 -41.01 97.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.523 ' CD2' HD11 ' A' ' 40' ' ' LEU . 14.8 mt -67.69 -41.04 84.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -62.67 -25.16 68.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.77 -30.42 72.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 49.1 p -66.15 -24.47 66.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.83 0.347 . . . . 0.0 111.138 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.36 -18.59 10.15 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.528 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -92.89 171.17 9.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -106.33 120.99 43.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.86 111.24 23.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.2 t -101.38 110.22 27.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.2 tp -61.67 129.08 39.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.436 ' HE3' ' CB ' ' A' ' 24' ' ' ALA . 37.0 mmtt -102.55 -55.6 2.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -165.62 135.87 3.91 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 50.6 mtm -80.49 90.43 5.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 50.96 -159.0 1.95 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.5 t -152.37 147.77 26.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.85 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.1 103.71 0.29 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.507 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -102.09 117.82 35.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.336 . . . . 0.0 110.928 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.8 mt -48.67 -47.01 40.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -109.94 87.7 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -90.74 -54.03 4.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 m -103.43 165.36 11.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -120.86 63.85 0.49 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 -26.18 27.91 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.687 2.258 . . . . 0.0 112.393 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.3 p -148.56 116.69 6.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 61.8 m -84.49 134.93 34.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.7 p 39.12 41.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.391 . . . . 0.0 110.903 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.1 t -68.07 136.76 54.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.57 -176.73 14.52 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.479 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -159.61 173.78 15.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 110.853 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p -145.88 153.68 41.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.11 179.27 28.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.522 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.8 tpt -174.89 146.54 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.73 160.78 18.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -165.2 147.67 7.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -120.34 157.16 29.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.4 p -164.6 165.68 20.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -170.54 143.73 7.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -111.73 42.84 1.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.75 40.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.89 172.31 33.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.4 m -149.39 106.52 3.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 111.166 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.7 tp -68.78 121.47 16.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 m -133.59 161.96 33.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.463 ' CG2' HD23 ' A' ' 59' ' ' LEU . 11.3 m -91.68 136.33 33.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.568 ' CD1' HG21 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -131.05 116.7 18.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.456 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 14.7 mt-10 -88.15 141.03 28.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -143.48 117.6 9.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.29 96.59 4.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.058 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.0 t -97.55 135.44 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -84.13 102.85 12.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.1 mtm -102.79 169.17 8.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.5 p -132.23 -39.66 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.3 p -151.95 175.76 12.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' SER . 41.8 tp60 -42.35 -57.36 2.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' GLN . 25.7 t -37.56 -60.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.841 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.3 m -41.64 -38.56 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.713 HG13 HG11 ' A' ' 51' ' ' VAL . 67.7 t -69.71 -43.89 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -52.48 -58.75 5.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.63 -64.15 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 74.7 t -42.65 -50.85 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 41' ' ' GLN . 84.6 mtm180 -59.38 -55.91 28.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' HD2' ' C ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -50.47 -42.55 54.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.8 p -57.26 -23.35 47.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.615 ' O ' HG11 ' A' ' 46' ' ' VAL . 6.0 mt -134.1 23.79 3.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 37' ' ' ARG . 24.7 tp60 -86.33 108.39 18.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 50.06 34.84 24.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 44' ' ' ALA . 79.2 t -86.86 142.94 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.835 0.35 . . . . 0.0 111.101 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.75 109.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.03 -48.66 0.93 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.615 HG11 ' O ' ' A' ' 40' ' ' LEU . 41.4 t -67.69 122.69 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 111.092 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -97.87 -33.47 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 15.7 m-20 -158.05 161.78 38.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.5 p -153.77 124.94 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -110.09 133.95 52.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.713 HG11 HG13 ' A' ' 33' ' ' VAL . 39.2 t -122.0 107.82 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -100.2 101.54 12.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.2 tp -71.04 -29.74 65.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -59.02 -39.94 83.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -116.86 22.83 12.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 41.97 33.33 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.456 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 65.7 mmm -99.36 157.4 16.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.635 HG22 HG13 ' A' ' 51' ' ' VAL . 75.1 t -152.21 108.09 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.463 HD23 ' CG2' ' A' ' 20' ' ' THR . 4.9 mp -89.24 156.71 18.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.6 t -141.53 107.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -87.84 94.3 9.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.6 t -144.59 162.09 37.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.128 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.6 p -84.26 -6.22 59.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.613 HD22 ' OE1' ' A' ' 68' ' ' GLU . 15.5 mt -81.3 152.2 70.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.588 0.709 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 145.03 55.86 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.634 2.223 . . . . 0.0 112.389 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -39.96 -32.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -64.7 -52.99 54.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.613 ' OE1' HD22 ' A' ' 64' ' ' LEU . 5.1 tt0 -57.24 -39.7 76.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.651 ' HA ' HD12 ' A' ' 72' ' ' LEU . 62.1 t -70.54 -53.94 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -42.78 -48.08 5.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.96 89.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 69' ' ' VAL . 29.0 mt -56.07 -41.86 75.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.427 ' HG ' HD11 ' A' ' 40' ' ' LEU . 6.7 mt -66.07 -47.41 74.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -58.38 -25.94 62.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.93 -22.29 62.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 65.5 p -75.07 -23.77 58.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 111.18 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.61 -40.72 1.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -81.23 171.97 14.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -100.09 147.3 25.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -124.29 115.39 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.7 t -98.27 126.18 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.685 HD11 ' HB3' ' A' ' 85' ' ' MET . 25.5 tp -72.32 120.8 18.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -130.65 30.8 4.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 85' ' ' MET . . . -149.38 -82.29 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.457 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.685 ' HB3' HD11 ' A' ' 82' ' ' LEU . 10.8 tpt -34.34 104.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.351 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -173.28 -44.81 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.451 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.0 p -85.99 143.4 28.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.368 . . . . 0.0 110.874 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 120.21 171.32 14.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -102.39 147.04 27.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.728 HD23 ' N ' ' A' ' 91' ' ' GLN . 2.9 tt -143.22 153.54 42.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.728 ' N ' HD23 ' A' ' 90' ' ' LEU . 2.7 mp0 -111.61 96.95 6.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 41.8 p-10 -71.79 155.71 40.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.3 p -120.06 -23.49 6.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.47 165.0 15.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -179.82 3.17 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.737 2.292 . . . . 0.0 112.325 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.4 m -147.5 129.17 15.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.822 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 t -154.18 125.18 7.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m 63.19 42.17 7.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.858 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 m -105.36 116.07 31.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.16 -154.35 6.12 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 m -72.28 109.49 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 110.852 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.2 p -57.66 -59.54 5.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.61 -132.59 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.479 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.427 ' O ' ' C ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -126.29 90.88 3.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' MET . . . -35.72 107.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -150.56 125.91 10.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -109.76 121.83 46.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.3 m -76.2 115.76 16.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -170.65 84.35 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.441 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -47.71 138.5 8.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -96.12 143.71 27.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.29 136.43 2.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.5 m -155.25 125.19 6.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.798 0.332 . . . . 0.0 111.175 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.901 HD11 ' HG2' ' A' ' 47' ' ' GLN . 2.2 tt -54.15 120.0 5.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 p -132.93 143.81 49.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.484 ' C ' HD13 ' A' ' 21' ' ' LEU . 87.0 m -98.33 120.16 38.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.19 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.675 HD22 ' N ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -113.82 120.36 40.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.406 ' HB3' ' HE1' ' A' ' 57' ' ' MET . 8.4 mt-10 -89.11 111.0 21.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.541 ' CE2' ' HB2' ' A' ' 21' ' ' LEU . 77.6 m-85 -113.49 117.59 32.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.51 100.48 8.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.2 t -97.21 136.4 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -86.19 101.36 12.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.841 ' SD ' HG22 ' A' ' 33' ' ' VAL . 24.3 mtm -106.43 151.15 25.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.7 p -122.15 -21.63 5.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.124 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.3 p -152.39 -177.33 6.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 33' ' ' VAL . 1.2 mp0 -61.2 -55.4 32.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' GLN . 17.9 t -34.27 -64.31 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.869 ' O ' HG23 ' A' ' 36' ' ' VAL . 30.1 m -44.25 -39.49 4.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.841 HG22 ' SD ' ' A' ' 27' ' ' MET . 77.9 t -73.01 -42.42 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.73 -43.66 85.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.14 -37.79 81.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 32' ' ' CYS . 80.8 t -61.33 -45.22 99.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' GLN . 41.9 mtp180 -67.37 -57.89 5.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HD3' ' C ' ' A' ' 38' ' ' LYS . 4.2 tmtt? -51.59 -36.37 45.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.414 ' N ' ' HD3' ' A' ' 38' ' ' LYS . 13.5 m -57.11 -31.3 65.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.468 ' O ' HG11 ' A' ' 46' ' ' VAL . 5.6 mt -129.77 19.99 5.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 37' ' ' ARG . 20.0 tt0 -79.11 113.54 17.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 50.65 32.9 25.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.3 t -90.56 144.12 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.785 0.326 . . . . 0.0 111.168 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -38.66 135.37 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.86 -45.75 3.53 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.468 HG11 ' O ' ' A' ' 40' ' ' LEU . 96.5 t -73.6 116.66 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.765 0.317 . . . . 0.0 111.159 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.901 ' HG2' HD11 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -93.65 -29.69 15.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -159.32 157.24 30.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 59' ' ' LEU . 84.9 t -155.04 133.34 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -120.89 132.48 54.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.709 HG21 HG13 ' A' ' 33' ' ' VAL . 8.1 p -121.45 102.17 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -97.5 108.36 21.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.2 tp -71.19 -37.75 72.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.79 -60.09 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 56' ' ' GLN . 10.0 m-20 -95.35 25.84 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 55' ' ' ASP . 8.5 mm-40 35.77 38.1 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.406 ' HE1' ' HB3' ' A' ' 22' ' ' GLU . 45.6 mmm -103.96 154.79 19.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.643 HG22 HG23 ' A' ' 51' ' ' VAL . 57.3 t -149.92 106.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.518 ' O ' HG13 ' A' ' 49' ' ' VAL . 5.2 mp -87.02 159.79 18.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.7 t -150.5 104.96 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.438 ' HB3' HD21 ' A' ' 18' ' ' LEU . 7.8 m170 -88.57 90.03 8.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.45 HG21 ' CG2' ' A' ' 69' ' ' VAL . 7.5 t -135.46 158.0 45.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.117 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.9 p -77.89 -14.35 59.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.7 mt -74.42 152.45 87.75 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.565 0.698 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 67' ' ' GLN . 54.1 Cg_endo -69.74 135.6 30.92 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' PRO . 10.1 t -35.94 -30.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 65' ' ' PRO . 5.8 tp60 -62.61 -52.48 63.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 65' ' ' PRO . 1.7 tp10 -58.49 -48.23 81.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.45 ' CG2' HG21 ' A' ' 62' ' ' THR . 30.6 t -61.91 -50.37 80.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -45.78 -32.88 2.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.54 -41.02 61.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 78.7 mt -60.11 -36.31 77.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.5 mt -70.21 -48.76 55.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.87 -19.12 49.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.75 -21.62 76.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.6 p -76.03 -18.65 59.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 111.158 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.01 -42.82 1.5 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.579 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.2 ptp85 -80.76 172.46 13.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -94.48 159.36 15.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -135.04 110.31 8.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.052 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.1 t -98.67 134.91 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.5 tp -84.7 119.4 25.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -87.98 -50.2 6.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -179.75 103.14 0.17 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.405 ' SD ' ' N ' ' A' ' 86' ' ' GLY . 4.6 ppp? -69.13 -43.27 74.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 0.0 110.839 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.405 ' N ' ' SD ' ' A' ' 85' ' ' MET . . . -74.05 -69.45 1.39 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.6 t 61.36 39.67 15.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.33 162.99 19.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -98.53 111.32 23.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.43 ' HG ' ' N ' ' A' ' 91' ' ' GLN . 23.3 tp -67.58 154.43 41.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.43 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 20.4 pt20 -103.04 157.13 17.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -115.07 109.03 17.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.3 m -54.6 -50.98 66.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 165.84 -167.47 39.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 2.29 3.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.645 2.23 . . . . 0.0 112.362 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.5 t -83.97 156.56 22.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.7 m -57.1 94.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.522 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 t -129.52 161.98 29.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 t -146.57 177.03 9.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.79 107.36 0.35 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.0 p -125.97 166.59 16.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 t -53.57 144.74 16.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.19 -44.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.52 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.8 tmm? -156.27 108.69 2.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.773 0.32 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.16 101.65 1.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.8 p -60.33 145.23 48.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -98.36 156.37 16.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.3 m -119.44 -57.58 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 155.71 155.25 7.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.426 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.412 ' O ' ' CG ' ' A' ' 14' ' ' ASN . 37.6 t30 -90.6 40.64 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.768 0.318 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -40.77 146.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.91 125.97 0.9 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.5 m -133.58 127.51 33.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.839 0.352 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.414 HD11 ' HB3' ' A' ' 47' ' ' GLN . 1.6 tt -84.69 126.81 33.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 74.6 m -134.19 157.54 45.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.2 m -92.1 130.14 37.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.765 ' CD1' HG21 ' A' ' 69' ' ' VAL . 12.8 mt -116.4 124.04 49.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.961 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -99.42 119.56 38.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 78.6 m-85 -122.46 131.68 53.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.29 98.03 10.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.9 t -99.77 145.39 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -88.67 117.07 27.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.519 ' HB2' HD12 ' A' ' 53' ' ' LEU . 21.3 mtm -129.21 156.9 43.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.8 p -127.89 -48.82 1.36 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 3.4 t -122.08 157.79 30.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 31' ' ' SER . 36.7 tp60 -41.32 -40.48 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 30' ' ' GLN . 6.3 m -34.75 -49.63 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.0 m -61.05 -52.59 64.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.474 HG13 ' CG1' ' A' ' 51' ' ' VAL . 82.9 t -52.7 -32.94 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -71.3 -51.04 26.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.02 -55.2 35.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.2 t -45.14 -49.79 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.432 ' HD2' ' CG1' ' A' ' 51' ' ' VAL . 52.2 mtp85 -69.44 -55.3 10.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -53.01 -25.06 10.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.8 t -72.76 -35.84 67.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mt -120.47 28.99 7.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.65 106.31 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 38.84 44.36 1.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 44' ' ' ALA . 48.0 t -85.46 139.23 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -33.93 117.38 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.86 -47.99 0.99 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 42.8 t -80.69 117.05 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.337 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 5.4 pt20 -85.14 -29.08 25.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 5.4 m-20 -159.18 164.09 35.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.3 p -155.73 128.71 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -116.95 132.04 56.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.474 ' CG1' HG13 ' A' ' 33' ' ' VAL . 3.3 p -123.79 112.75 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.094 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -105.64 108.69 20.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.519 HD12 ' HB2' ' A' ' 27' ' ' MET . 13.0 tp -76.41 -25.83 54.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -67.67 -45.45 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 56' ' ' GLN . 2.0 m-20 -105.52 26.46 9.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 55' ' ' ASP . 26.0 mm-40 34.8 35.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 55' ' ' ASP . 46.7 mmm -106.36 159.32 16.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.471 HG22 HG23 ' A' ' 51' ' ' VAL . 83.9 t -154.23 107.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.36 162.1 17.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.1 t -151.21 107.43 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -90.78 97.41 11.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.462 HG21 HG22 ' A' ' 69' ' ' VAL . 14.4 t -143.18 162.94 34.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.0 p -88.44 1.23 55.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mt -85.06 152.25 58.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.626 0.727 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.8 Cg_endo -69.75 139.16 39.6 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.646 2.231 . . . . 0.0 112.397 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 65' ' ' PRO . 17.0 t -34.52 -63.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' SER . 9.6 pt20 -37.5 -44.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 65' ' ' PRO . 10.5 tp10 -64.44 -59.8 3.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.765 HG21 ' CD1' ' A' ' 21' ' ' LEU . 66.4 t -50.26 -40.14 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -51.72 -35.46 43.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.56 -41.44 54.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 69' ' ' VAL . 21.1 mt -62.0 -20.9 64.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 35.7 mt -91.69 -42.91 9.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -62.93 -18.78 63.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.78 -26.55 71.2 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 28.8 p -69.95 -8.47 49.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 111.128 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.77 8.57 60.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -115.11 163.55 15.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -97.5 120.37 37.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -105.31 120.46 41.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.4 t -105.58 104.85 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.422 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 20.7 tp -57.97 118.72 5.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -94.6 -51.99 4.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -141.19 123.47 2.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.6 ttp -93.34 -56.12 3.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -179.04 98.73 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.3 p -151.37 130.84 12.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.896 0.379 . . . . 0.0 110.88 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -68.0 -148.98 0.18 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 90' ' ' LEU . 47.2 tt0 -105.3 105.95 16.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 110.961 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.454 HD12 ' H ' ' A' ' 91' ' ' GLN . 35.1 tp -34.67 148.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.454 ' H ' HD12 ' A' ' 90' ' ' LEU . 25.4 pt20 -129.28 155.11 46.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.52 158.99 11.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 p -165.72 129.07 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.48 -171.07 20.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 156.76 62.43 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.637 2.225 . . . . 0.0 112.36 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.7 t -157.78 173.01 17.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.6 t -123.59 -56.87 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -139.83 127.39 21.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.854 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -42.28 -45.73 4.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.35 69.77 0.21 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -67.63 152.06 46.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.381 . . . . 0.0 110.843 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -111.79 171.11 7.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.788 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.59 76.57 0.41 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.531 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.6 mtp -51.05 103.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.763 0.316 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.64 132.37 53.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.8 t -109.8 153.47 24.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -164.26 167.18 20.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.0 t -132.92 146.72 52.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.17 -173.41 46.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -158.75 143.74 16.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -144.34 155.06 43.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -149.5 -140.67 3.3 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -157.4 122.25 4.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 111.12 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.596 HD11 ' HG2' ' A' ' 47' ' ' GLN . 1.4 tt -76.49 114.86 15.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.953 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 97.7 m -134.34 149.79 50.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.1 m -88.9 120.26 30.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.482 HD23 ' SD ' ' A' ' 85' ' ' MET . 3.0 mt -107.27 127.18 53.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.632 ' O ' HD12 ' A' ' 82' ' ' LEU . 11.1 mt-10 -93.43 132.2 37.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 58' ' ' VAL . 51.0 m-85 -136.26 120.82 18.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.426 ' HB2' ' HG3' ' A' ' 83' ' ' LYS . . . -90.13 95.02 10.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.435 ' CG2' HG21 ' A' ' 58' ' ' VAL . 15.2 t -99.98 143.94 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.165 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -87.06 127.19 35.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.445 ' HB2' HD12 ' A' ' 53' ' ' LEU . 20.8 mtm -134.55 154.15 51.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.8 p -122.85 -62.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.456 ' O ' ' C ' ' A' ' 30' ' ' GLN . 1.7 t -108.42 148.59 29.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 29' ' ' CYS . 11.9 tp60 -33.65 -42.34 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' GLN . 30.8 p -34.11 -67.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.929 ' O ' HG23 ' A' ' 36' ' ' VAL . 58.4 m -38.73 -44.85 1.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.537 HG13 ' CG1' ' A' ' 51' ' ' VAL . 93.7 t -64.98 -41.07 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' SER . 3.2 t0 -57.54 -50.52 72.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.599 ' HB3' HH21 ' A' ' 78' ' ' ARG . . . -67.73 -55.04 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.929 HG23 ' O ' ' A' ' 32' ' ' CYS . 85.7 t -39.7 -38.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' GLN . 59.3 mtp180 -74.89 -53.51 8.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -53.42 -35.53 60.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 92.7 p -59.74 -31.52 69.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mt -127.14 20.11 6.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 37' ' ' ARG . 11.4 tt0 -73.95 108.63 6.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 49.28 41.02 30.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 92.9 t -92.09 141.32 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -37.47 145.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.61 -52.21 3.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.401 HG11 ' CG2' ' A' ' 49' ' ' VAL . 94.1 t -66.52 130.13 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.342 . . . . 0.0 111.106 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.596 ' HG2' HD11 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -100.64 -32.47 10.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.481 ' HB2' ' NE2' ' A' ' 47' ' ' GLN . 2.6 t70 -158.04 154.93 28.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.401 ' CG2' HG11 ' A' ' 46' ' ' VAL . 97.2 t -146.46 129.15 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -126.85 112.46 15.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.537 ' CG1' HG13 ' A' ' 33' ' ' VAL . 7.3 p -103.34 127.33 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.519 ' N ' ' CD2' ' A' ' 52' ' ' HIS . 1.5 m-70 -116.18 115.65 26.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.445 HD12 ' HB2' ' A' ' 27' ' ' MET . 7.4 tp -84.66 -23.6 29.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -68.61 -53.08 24.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' GLN . 7.5 m-20 -97.78 25.22 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' ASP . 3.9 mm-40 34.38 43.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 40.9 mmm -111.04 167.21 10.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 23' ' ' PHE . 95.3 t -155.54 109.99 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -103.32 140.6 37.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 99.1 t -136.19 106.46 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -81.34 98.1 8.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.45 HG21 ' CG2' ' A' ' 69' ' ' VAL . 6.8 t -145.19 161.76 38.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.0 p -87.21 -7.18 58.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.461 HD13 ' CD ' ' A' ' 68' ' ' GLU . 6.0 mt -78.17 152.57 79.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 110.912 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.8 Cg_endo -69.8 139.38 39.92 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.332 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' PRO . 71.2 m -34.38 -57.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -38.53 -46.44 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.461 ' CD ' HD13 ' A' ' 64' ' ' LEU . 16.2 tm-20 -61.18 -62.87 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.45 ' CG2' HG21 ' A' ' 62' ' ' THR . 74.2 t -48.09 -44.56 12.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -46.85 -43.4 18.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.63 94.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.42 -36.67 78.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.5 mt -76.57 -44.48 34.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -61.45 -12.93 16.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.4 -28.09 62.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 72.7 p -77.24 -1.19 28.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 111.148 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.29 27.53 30.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.449 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.599 HH21 ' HB3' ' A' ' 35' ' ' ALA . 18.3 mtt-85 -125.86 163.61 22.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -102.03 121.48 42.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -100.79 124.03 45.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.4 t -115.92 107.88 23.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 22' ' ' GLU . 17.4 tp -60.88 131.85 52.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.426 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 40.7 mmtt -121.16 -47.67 2.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.42 -116.96 0.85 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.492 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.484 ' HB2' HD11 ' A' ' 82' ' ' LEU . 7.8 tpt 44.27 48.0 7.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.71 131.74 0.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 t -164.8 167.26 19.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.914 0.387 . . . . 0.0 110.825 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -101.7 88.41 0.7 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -105.49 114.22 28.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.842 0.354 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.514 ' N ' HD23 ' A' ' 90' ' ' LEU . 2.1 pt? -167.83 167.99 12.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -171.21 125.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -118.39 128.37 54.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.7 t -152.45 175.83 12.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 151.34 148.22 4.75 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 119.92 6.79 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.738 2.292 . . . . 0.0 112.332 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 99.3 p -77.71 93.21 4.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.809 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.0 m -125.51 138.62 53.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -137.7 138.16 39.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -150.83 169.02 22.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.63 115.94 0.88 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 6' ' ' SER . 4.1 t -92.08 124.01 35.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 5' ' ' SER . 18.6 m -38.27 -46.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.842 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.02 82.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.0 mtp -140.98 166.05 25.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -158.21 165.56 34.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.067 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.4 p -156.6 160.12 39.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -122.32 126.05 47.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.1 p -106.66 168.48 9.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -144.39 -169.53 13.17 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -120.56 -54.22 2.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 39.77 37.51 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.53 80.69 1.38 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.8 m -126.4 116.57 21.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 111.142 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.601 HD11 ' HG2' ' A' ' 47' ' ' GLN . 4.2 tt -72.92 113.36 9.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 m -130.46 154.1 48.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.48 HG23 ' CD2' ' A' ' 61' ' ' HIS . 58.7 m -93.06 105.8 17.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.452 HD22 ' HB2' ' A' ' 66' ' ' SER . 5.5 mt -84.98 125.28 32.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.964 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.583 ' HG3' HD13 ' A' ' 59' ' ' LEU . 16.9 mt-10 -95.48 128.81 42.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -131.72 147.77 52.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.681 ' HB3' ' HB ' ' A' ' 81' ' ' VAL . . . -103.93 96.47 6.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.3 t -102.54 135.97 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.57 113.91 26.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.401 ' SD ' HG22 ' A' ' 33' ' ' VAL . 14.8 mtm -115.0 169.34 9.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.4 p -128.98 -45.2 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.1 p -138.34 -175.87 4.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 31' ' ' SER . 14.1 tp60 -56.34 -49.47 74.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 30' ' ' GLN . 50.8 m -34.23 -68.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 70.9 m -38.65 -53.02 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.579 HG13 HG11 ' A' ' 51' ' ' VAL . 94.2 t -56.19 -48.49 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -47.77 -51.48 22.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.46 -58.85 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.7 t -42.49 -38.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 41' ' ' GLN . 88.8 mtt180 -72.46 -53.19 12.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -57.3 -30.06 64.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.446 ' HB2' ' CG2' ' A' ' 76' ' ' THR . 28.9 t -65.02 -22.0 66.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.799 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.617 ' CB ' HG21 ' A' ' 49' ' ' VAL . 7.4 mt -132.89 10.55 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 37' ' ' ARG . 2.5 tm0? -75.42 109.86 9.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 58.36 46.2 93.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.3 t -104.06 136.64 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 111.086 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -37.67 141.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.88 -49.17 3.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.6 t -65.41 137.6 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.601 ' HG2' HD11 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -113.19 -30.42 6.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -162.96 152.37 15.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.617 HG21 ' CB ' ' A' ' 40' ' ' LEU . 96.6 t -141.8 114.54 4.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -99.95 119.96 39.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.647 HG13 HG22 ' A' ' 58' ' ' VAL . 29.9 t -109.41 109.82 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -101.16 103.84 14.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.1 tp -76.46 -29.39 56.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.39 -52.05 67.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -102.07 25.52 8.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 39.7 38.85 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 37.3 mmm -109.87 160.75 16.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.647 HG22 HG13 ' A' ' 51' ' ' VAL . 92.1 t -155.42 107.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.876 HD23 ' N ' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -94.63 149.99 20.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.8 t -133.46 109.03 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.48 ' CD2' HG23 ' A' ' 20' ' ' THR . 4.9 m170 -85.04 94.5 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.0 t -143.7 163.54 32.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.7 p -85.1 -10.58 56.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.203 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.9 mt -78.38 152.2 78.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.666 0.746 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 151.99 69.06 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.452 ' HB2' HD22 ' A' ' 21' ' ' LEU . 2.6 t -48.04 -57.59 5.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -41.16 -39.89 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -67.77 -63.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 72' ' ' LEU . 61.7 t -48.77 -47.35 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 69' ' ' VAL . 19.7 tt0 -36.49 -49.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -43.48 95.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 69' ' ' VAL . 78.9 mt -56.58 -41.46 76.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.7 mt -72.72 -49.03 33.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -56.02 -25.63 45.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.7 -34.09 75.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.534 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.446 ' CG2' ' HB2' ' A' ' 39' ' ' SER . 78.9 p -66.7 -23.03 66.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.854 0.359 . . . . 0.0 111.12 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.61 32.07 4.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.8 mtp85 -128.54 163.83 24.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.76 0.314 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -96.77 109.79 22.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.1 113.86 25.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.681 ' HB ' ' HB3' ' A' ' 24' ' ' ALA . 65.8 t -104.52 104.6 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.847 HD11 ' HG2' ' A' ' 85' ' ' MET . 25.1 tp -54.16 125.02 17.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.566 ' CE ' ' HB2' ' A' ' 24' ' ' ALA . 43.4 mmtt -88.8 -60.21 2.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -163.57 35.79 0.31 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.847 ' HG2' HD11 ' A' ' 82' ' ' LEU . 11.9 mtm 35.66 31.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.858 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 84' ' ' GLY . . . 92.63 49.58 2.71 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.2 t -86.66 -51.82 5.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.933 0.397 . . . . 0.0 110.846 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 111.62 69.62 0.57 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.54 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -92.25 87.37 6.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 25.1 tp -67.16 124.57 23.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -81.73 172.72 13.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -169.48 150.29 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 94.8 p -118.43 171.84 7.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.823 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 156.34 82.91 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 124.92 11.56 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.7 t -158.79 146.25 17.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.8 t -161.22 145.42 13.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.504 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 m -144.48 164.78 29.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -144.64 109.4 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.872 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.42 167.58 12.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.4 p -169.54 166.42 10.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 110.851 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.7 m -133.06 161.23 34.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.24 -176.34 21.64 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.529 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -153.46 115.54 4.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.353 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.55 108.58 4.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.072 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.5 p -150.12 112.61 4.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -123.32 99.5 6.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 m -125.35 126.86 45.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.41 -159.16 32.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -116.21 135.25 54.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.736 0.303 . . . . 0.0 110.909 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -108.97 43.59 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.24 80.18 1.28 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 17' ' ' THR . 9.6 t -142.47 122.37 13.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 111.145 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.484 HD21 ' NE2' ' A' ' 47' ' ' GLN . 53.8 tp -93.19 123.09 36.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 51.7 m -134.41 151.82 51.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.4 m -90.12 124.42 34.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.648 ' CD1' HG21 ' A' ' 69' ' ' VAL . 4.8 mt -112.04 121.69 45.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.462 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 8.7 mt-10 -101.53 111.84 24.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.438 ' CE1' HD13 ' A' ' 82' ' ' LEU . 96.6 m-85 -116.1 124.17 49.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.61 99.41 10.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.8 t -100.19 144.24 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -90.53 112.54 24.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 21.1 mtm -120.87 162.17 20.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.2 p -124.6 -57.33 1.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 30' ' ' GLN . 17.5 t -125.49 162.04 25.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.466 ' C ' ' O ' ' A' ' 29' ' ' CYS . 17.2 tp60 -32.94 -49.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 30' ' ' GLN . 13.2 t -33.03 -69.94 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 89.2 m -40.76 -40.81 1.41 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.651 HG13 HG11 ' A' ' 51' ' ' VAL . 90.7 t -71.84 -40.05 68.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -57.71 -34.84 69.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.05 -44.8 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.1 t -53.2 -46.53 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 41' ' ' GLN . 70.3 mtp180 -68.23 -57.02 6.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -53.2 -30.56 38.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.6 m -61.84 -37.67 85.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mt -123.93 20.04 9.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 37' ' ' ARG . 1.8 tt0 -71.8 112.86 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 43.94 40.74 5.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.6 t -91.99 145.21 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 111.116 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.93 124.0 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.7 -47.94 1.28 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.5 t -74.75 135.28 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.484 ' NE2' HD21 ' A' ' 18' ' ' LEU . 3.8 pt20 -106.02 -28.74 10.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.474 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 5.6 t70 -161.4 166.5 27.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 48' ' ' ASP . 42.2 t -156.93 118.76 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -107.17 123.15 47.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.651 HG11 HG13 ' A' ' 33' ' ' VAL . 53.3 t -105.57 133.41 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -125.7 106.25 9.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.6 tp -80.07 -28.7 39.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -60.55 -43.93 96.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -111.26 21.06 16.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 40.84 41.25 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.462 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 61.2 mmm -106.67 151.86 24.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.0 t -139.44 108.12 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.0 mp -91.31 158.8 16.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.1 t -152.74 104.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -87.44 99.19 11.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.416 HG21 ' CG2' ' A' ' 69' ' ' VAL . 9.6 t -143.7 161.94 37.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.2 p -87.28 4.94 40.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.157 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.4 mt -90.48 152.5 45.4 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.611 0.72 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.1 Cg_endo -69.71 140.03 41.85 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.357 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' PRO . 68.0 p -33.82 -64.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 66' ' ' SER . 14.6 pt20 -34.63 -46.71 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.34 -61.21 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.648 HG21 ' CD1' ' A' ' 21' ' ' LEU . 61.1 t -51.58 -47.0 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -47.64 -40.43 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.8 95.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.36 -30.87 71.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.4 mt -77.03 -36.26 56.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -69.56 -21.77 63.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.53 -29.85 75.86 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 58.6 p -66.73 -21.52 66.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 111.091 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.83 -10.48 34.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.06 172.07 8.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.742 0.306 . . . . 0.0 110.846 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -104.54 110.25 22.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.8 116.07 28.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.3 t -103.47 122.21 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.438 HD13 ' CE1' ' A' ' 23' ' ' PHE . 63.9 tp -72.46 121.51 19.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -99.87 -41.67 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 178.27 164.05 30.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.637 ' CG ' HD23 ' A' ' 21' ' ' LEU . 1.4 mpp? -111.55 41.01 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 132.63 63.67 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.4 m -138.11 125.04 21.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.924 0.393 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.31 -152.64 24.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -141.47 119.84 12.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.878 0.37 . . . . 0.0 110.927 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.6 tp -131.0 129.36 41.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -77.31 129.62 36.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -153.96 171.52 18.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 82.4 p -129.6 -39.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 106.5 144.28 11.86 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 178.25 4.74 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.352 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 97' ' ' SER . 7.5 t -157.12 168.42 27.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.907 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 96' ' ' SER . 1.8 m 37.1 42.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.467 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 m -69.91 171.83 8.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.883 0.373 . . . . 0.0 110.84 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.0 p -132.64 -51.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.74 122.07 1.03 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.528 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 m -112.04 154.33 25.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.844 0.354 . . . . 0.0 110.875 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -164.73 117.29 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.76 105.6 0.22 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.446 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.8 ttt -161.71 113.07 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.07 145.41 23.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.076 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 m -124.18 171.15 10.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.19 151.5 31.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 m -126.71 144.41 50.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.45 88.33 0.19 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.9 p30 -103.28 42.15 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.854 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -48.74 -49.5 38.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 58.62 116.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 m -154.23 113.18 3.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.36 . . . . 0.0 111.157 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.1 tp -76.46 116.7 17.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.1 m -134.29 159.2 41.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.4 m -88.75 133.91 34.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 66' ' ' SER . 4.2 mt -126.58 109.87 12.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.468 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 10.8 mt-10 -84.58 129.52 34.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' A' ' 70' ' ' GLN . 57.0 m-85 -133.18 119.14 19.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.68 97.04 5.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.5 t -98.8 137.74 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -70.54 129.19 38.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.448 ' HB2' HD12 ' A' ' 53' ' ' LEU . 15.7 mtm -143.89 140.49 29.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 70.0 p -122.74 -24.66 4.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 30' ' ' GLN . 1.9 t -146.2 159.21 43.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.467 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 34.6 tp60 -41.78 -42.17 2.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 34' ' ' ASP . 5.0 t -34.43 -70.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.99 ' O ' HG23 ' A' ' 36' ' ' VAL . 70.7 m -37.79 -44.21 0.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.687 HG13 HG11 ' A' ' 51' ' ' VAL . 41.8 t -62.18 -41.96 93.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.9 OUTLIER -57.35 -44.37 84.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.52 -43.23 56.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.99 HG23 ' O ' ' A' ' 32' ' ' CYS . 94.4 t -49.36 -44.63 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 41' ' ' GLN . 34.7 mtp85 -66.61 -55.88 13.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.425 ' C ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -51.02 -44.71 61.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 p -48.69 -29.49 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.437 ' O ' HG11 ' A' ' 46' ' ' VAL . 4.3 mt -132.69 20.66 4.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 37' ' ' ARG . 7.0 tt0 -74.75 119.2 18.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 39.35 37.56 0.78 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.8 t -86.58 143.63 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 111.165 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.33 108.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 111.0 -48.96 0.88 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.437 HG11 ' O ' ' A' ' 40' ' ' LEU . 41.5 t -65.4 125.77 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 0.0 111.175 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -102.57 -32.17 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 8.6 t0 -156.69 157.41 35.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.9 p -153.37 120.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -110.61 131.37 55.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.687 HG11 HG13 ' A' ' 33' ' ' VAL . 39.2 t -116.95 125.78 74.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -121.97 100.57 7.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.448 HD12 ' HB2' ' A' ' 27' ' ' MET . 8.0 tp -71.07 -25.98 62.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -60.62 -41.74 95.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 56' ' ' GLN . 1.4 m-20 -112.61 24.07 12.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 55' ' ' ASP . 16.8 mm-40 37.12 44.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 60.4 mmm -112.86 159.38 19.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.5 t -146.51 105.87 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.0 mp -86.96 159.0 19.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.404 ' CG2' HD13 ' A' ' 40' ' ' LEU . 80.1 t -152.62 107.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -89.77 93.58 9.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.0 t -142.2 163.48 32.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.2 p -84.86 -7.46 59.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.0 mt -77.88 152.31 79.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.624 0.726 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.5 Cg_endo -69.75 139.7 40.88 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.686 2.258 . . . . 0.0 112.312 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.581 ' HB3' HD22 ' A' ' 21' ' ' LEU . 35.3 p -34.19 -61.12 0.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 66' ' ' SER . 8.4 tt0 -35.04 -52.14 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -56.79 -61.77 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.462 ' HA ' HD12 ' A' ' 72' ' ' LEU . 98.5 t -49.5 -38.2 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.479 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 43.7 tt0 -64.02 -31.52 72.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.81 -32.93 63.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 69' ' ' VAL . 19.1 mt -72.51 -37.07 68.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.9 mt -66.13 -49.23 68.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -61.39 -23.82 66.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.01 -16.91 62.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.533 HG21 ' NH2' ' A' ' 78' ' ' ARG . 73.0 p -76.79 -24.1 52.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.847 0.356 . . . . 0.0 111.193 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.92 -36.77 3.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.62 ' HE ' HG22 ' A' ' 36' ' ' VAL . 6.6 ptt-85 -80.9 172.04 14.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.854 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -86.37 148.83 25.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.16 117.86 9.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.8 t -119.45 145.65 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.445 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 10.8 tp -82.75 137.51 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -115.12 -43.41 3.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -163.55 143.33 8.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.552 ' HB2' HD23 ' A' ' 21' ' ' LEU . 10.3 ptm -135.76 139.04 43.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.847 0.356 . . . . 0.0 110.831 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 42.31 42.73 4.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -158.6 154.08 25.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -165.72 102.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -109.95 127.03 54.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.6 tp -152.85 135.86 15.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 92' ' ' ASN . 36.2 tp60 -168.56 149.64 4.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.416 ' N ' ' HG3' ' A' ' 91' ' ' GLN . 4.2 m120 -141.74 155.12 45.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.2 p -164.44 149.32 9.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 168.72 84.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -178.36 2.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.379 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.1 t -160.58 143.2 13.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 85.2 p -108.77 175.37 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.9 p -152.7 156.18 38.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.6 p -169.73 176.93 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.6 164.31 32.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -157.21 174.42 15.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 110.812 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -168.07 172.57 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.832 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.1 87.43 0.16 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.4 ptp -127.08 137.15 52.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.772 0.32 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.07 146.54 27.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.2 p -101.28 -54.81 2.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -153.14 155.05 36.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.3 p -156.33 168.5 27.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.82 132.11 2.46 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -136.79 136.08 38.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.798 0.332 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -86.43 172.35 10.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.74 103.93 1.73 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 t -133.89 117.38 16.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.813 0.339 . . . . 0.0 111.129 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 tt -82.36 118.78 23.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.9 m -134.22 160.26 38.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.643 ' CG2' HD23 ' A' ' 59' ' ' LEU . 93.8 m -93.62 129.61 39.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.509 HD23 ' HB2' ' A' ' 85' ' ' MET . 2.1 mt -119.31 111.29 18.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.44 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 28.3 mt-10 -88.27 127.4 35.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.497 ' O ' ' N ' ' A' ' 58' ' ' VAL . 70.9 m-85 -132.35 128.84 38.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.511 ' HB2' ' HE3' ' A' ' 83' ' ' LYS . . . -85.25 94.57 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 78' ' ' ARG . 54.3 t -98.45 148.81 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -79.15 134.68 36.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 29.9 mtm -148.07 122.29 9.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.2 -34.82 10.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' GLN . 83.6 m -153.23 177.29 11.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.468 ' O ' ' C ' ' A' ' 31' ' ' SER . 38.5 tp60 -37.93 -56.8 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 30' ' ' GLN . 11.9 t -32.71 -70.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.535 ' O ' HG23 ' A' ' 36' ' ' VAL . 21.9 m -37.9 -46.39 0.95 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.828 HG13 HG11 ' A' ' 51' ' ' VAL . 99.7 t -65.27 -42.25 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 31' ' ' SER . 87.8 m-20 -53.0 -50.7 63.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.3 -48.71 80.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 32' ' ' CYS . 96.5 t -51.99 -50.54 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 41' ' ' GLN . 46.3 mtp180 -63.21 -58.63 6.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -51.27 -37.13 45.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 p -58.71 -34.46 71.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 mt -125.9 24.6 7.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 37' ' ' ARG . 5.1 tt0 -80.83 116.85 21.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.53 42.12 7.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 44' ' ' ALA . 78.0 t -96.12 133.95 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.52 124.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.76 -55.23 1.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.8 126.09 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.741 0.305 . . . . 0.0 111.194 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -100.53 -34.95 9.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 2.8 t70 -153.23 162.11 41.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 49' ' ' VAL . 2.8 p -156.99 111.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -99.33 134.13 42.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.828 HG11 HG13 ' A' ' 33' ' ' VAL . 62.0 t -116.91 111.82 36.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -103.89 108.35 19.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.3 tp -76.81 -33.49 57.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -52.22 -44.55 64.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.54 23.91 12.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 38.82 42.85 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.44 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 62.3 mmm -102.3 162.54 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.943 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' PHE . 62.8 t -148.3 105.15 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.643 HD23 ' CG2' ' A' ' 20' ' ' THR . 3.7 mp -88.24 151.32 22.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.6 t -141.47 105.28 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -86.24 90.8 8.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.411 HG21 ' CG2' ' A' ' 69' ' ' VAL . 6.4 t -138.88 163.53 32.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.6 p -91.26 9.61 30.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.7 mt -98.72 152.53 37.9 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.606 0.717 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.0 Cg_endo -69.68 145.23 56.95 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.715 2.276 . . . . 0.0 112.347 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' GLN . 67.0 m -36.33 -65.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' SER . 13.9 pt20 -34.53 -43.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 6.1 tt0 -62.0 -53.59 53.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.616 ' HA ' HD12 ' A' ' 72' ' ' LEU . 93.0 t -66.36 -56.53 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 69' ' ' VAL . 58.3 tt0 -36.93 -52.68 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.9 -47.15 81.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.068 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 69' ' ' VAL . 47.7 mt -54.77 -37.59 66.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.0 mt -67.1 -51.08 58.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -56.62 -23.02 38.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.51 -25.61 55.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.51 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 71.5 p -72.43 -17.65 61.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 111.093 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.7 -31.87 5.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.524 ' CZ ' HG22 ' A' ' 36' ' ' VAL . 4.9 ptt85 -80.79 172.8 13.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.745 0.307 . . . . 0.0 110.866 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -107.69 132.18 53.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -104.25 132.18 50.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.5 t -113.04 105.88 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.436 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 29.3 tp -58.99 139.75 56.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.511 ' HE3' ' HB2' ' A' ' 24' ' ' ALA . 66.8 mmtt -114.48 -43.0 3.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 170.73 133.7 1.65 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.509 ' HB2' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -118.07 159.68 22.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.368 . . . . 0.0 110.869 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -76.24 129.72 10.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.539 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.7 t -80.05 137.39 36.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.922 0.391 . . . . 0.0 110.874 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.63 106.54 3.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.551 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -54.53 137.5 42.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.926 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.565 HD13 ' N ' ' A' ' 91' ' ' GLN . 0.3 OUTLIER -88.34 129.9 35.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.565 ' N ' HD13 ' A' ' 90' ' ' LEU . 37.4 tt0 -80.31 45.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -71.15 146.71 48.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t -132.23 101.24 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -84.88 -78.72 1.14 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.521 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -3.2 11.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.313 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.4 t -129.0 173.09 10.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.0 m -117.89 -46.22 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.46 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -167.39 140.4 3.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -170.84 167.78 7.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.76 155.95 10.09 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.2 p -172.81 133.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.829 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -165.17 128.46 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.77 122.48 0.63 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.0 ttm -167.9 140.69 3.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.98 176.0 13.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.4 p -165.9 166.96 17.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -162.28 146.81 12.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.7 t -168.96 123.92 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.07 132.27 1.55 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -118.11 142.96 46.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.752 0.311 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -144.56 114.79 7.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -169.73 170.71 42.93 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -166.95 129.12 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.592 HD21 ' HG2' ' A' ' 47' ' ' GLN . 18.1 tp -76.16 122.13 23.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 81.7 m -131.98 160.56 35.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.1 m -96.36 126.21 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.479 HD22 ' HB3' ' A' ' 66' ' ' SER . 2.1 mt -116.18 132.66 56.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -102.67 127.73 49.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 58' ' ' VAL . 63.6 m-85 -134.12 128.62 34.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.24 97.32 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.5 t -100.06 136.36 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -70.08 132.2 45.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.431 ' SD ' HG22 ' A' ' 33' ' ' VAL . 30.9 mtm -151.04 120.74 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 t -105.34 -32.79 8.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.5 p -131.39 -175.82 3.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 33' ' ' VAL . 44.3 tp60 -62.93 -53.56 52.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 30' ' ' GLN . 14.2 t -34.56 -59.22 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 65.6 m -46.24 -41.62 13.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.976 HG13 HG11 ' A' ' 51' ' ' VAL . 60.4 t -73.53 -37.21 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -60.07 -28.19 67.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' SER . . . -77.67 -48.84 15.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 72.9 t -50.3 -47.89 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.427 ' NH1' ' HB3' ' A' ' 37' ' ' ARG . 14.6 mtp-105 -71.03 -50.31 35.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HD3' ' C ' ' A' ' 38' ' ' LYS . 1.3 tmtp? -63.44 -19.69 64.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 35' ' ' ALA . 19.3 t -73.12 -36.84 66.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 mt -123.67 25.03 8.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.455 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.5 tt0 -53.84 106.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 41' ' ' GLN . . . 33.66 36.02 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' GLN . 75.3 t -75.37 145.81 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.123 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -34.91 139.42 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.54 -49.05 4.16 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.6 t -71.07 135.99 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.336 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.592 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -111.33 -30.08 7.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.418 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 4.8 t70 -155.68 156.54 35.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.3 t -153.24 114.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -103.8 149.28 25.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.976 HG11 HG13 ' A' ' 33' ' ' VAL . 89.5 t -136.37 124.28 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -116.97 106.03 12.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.5 tp -74.75 -21.98 59.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -66.69 -48.33 69.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.87 16.16 24.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 46.59 39.14 6.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 69.6 mmm -101.54 163.27 12.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 23' ' ' PHE . 42.5 t -155.53 107.7 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.3 mp -91.41 162.03 14.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.7 t -152.71 107.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -87.49 92.58 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.478 ' C ' HD12 ' A' ' 18' ' ' LEU . 10.1 t -139.45 163.45 32.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.6 p -85.51 -6.86 59.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.7 mt -79.99 152.38 74.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.587 0.708 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.2 Cg_endo -69.72 137.16 34.91 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.479 ' HB3' HD22 ' A' ' 21' ' ' LEU . 78.6 p -34.48 -62.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' SER . 55.1 mm-40 -37.07 -47.96 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -59.11 -59.84 4.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.431 ' HA ' HD12 ' A' ' 72' ' ' LEU . 93.6 t -51.36 -48.29 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -44.09 -48.45 8.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.97 -41.03 86.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 69' ' ' VAL . 44.3 mt -64.25 -31.52 72.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.8 mt -79.03 -23.86 44.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.961 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -79.3 -28.74 42.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.82 -17.89 63.45 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.481 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.2 p -75.41 -14.09 60.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.82 0.343 . . . . 0.0 111.103 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.28 -35.75 4.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.454 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.737 ' HE ' ' N ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -84.89 168.38 15.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.765 0.317 . . . . 0.0 110.894 -179.854 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -104.5 121.17 42.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -98.15 119.07 36.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.5 t -103.88 117.16 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.9 tp -58.12 118.63 5.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -103.57 3.29 34.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 158.11 127.98 0.98 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 15.4 mtp -74.4 -60.06 2.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.7 81.65 0.31 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.6 t -59.06 113.02 1.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.389 . . . . 0.0 110.868 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.02 89.6 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -160.77 119.66 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.4 tp -146.54 117.79 7.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -116.36 170.84 8.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -159.5 106.98 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 95.9 p -82.07 176.87 9.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 148.81 83.1 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.414 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 151.23 68.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 m -164.78 167.28 19.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.9 m -96.96 171.98 8.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t 40.01 42.11 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 110.836 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -47.0 -54.22 10.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.77 163.12 2.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -159.9 173.01 16.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.863 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m -123.8 171.92 9.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.94 156.73 19.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.4 mtt -105.59 166.18 10.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.329 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -173.34 123.8 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.097 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.9 t -141.74 138.25 32.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.784 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -137.56 170.49 15.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.811 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.5 p -116.73 141.66 47.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.76 -176.5 5.16 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.5 p30 -115.82 112.67 22.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -72.82 120.04 17.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -159.49 79.48 0.17 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 17' ' ' THR . 9.0 t -137.66 123.68 20.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.814 0.34 . . . . 0.0 111.159 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.655 HD13 ' OE1' ' A' ' 47' ' ' GLN . 1.3 tt -92.47 117.93 30.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -125.88 162.88 24.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.501 HG23 ' CD2' ' A' ' 61' ' ' HIS . 38.3 m -100.21 99.95 10.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 mt -77.86 119.69 21.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.592 ' HG3' HD13 ' A' ' 59' ' ' LEU . 11.1 mt-10 -93.48 115.07 27.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 76.8 m-85 -118.49 165.4 13.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.573 ' HB3' ' HB ' ' A' ' 81' ' ' VAL . . . -121.53 101.85 7.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.1 t -107.74 142.84 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.492 ' O ' ' CZ ' ' A' ' 78' ' ' ARG . 10.5 tt0 -88.05 110.89 20.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 24.6 mtm -112.62 161.34 16.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.5 p -113.84 -62.09 1.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.4 m -133.14 -174.98 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 31' ' ' SER . 35.3 tp60 -43.68 -56.38 3.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 30' ' ' GLN . 4.1 t -34.21 -70.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' SER . 2.7 m -36.33 -38.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.553 ' CG1' HG11 ' A' ' 51' ' ' VAL . 22.0 t -68.32 -48.23 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' SER . 3.1 m-20 -54.63 -38.31 66.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.71 -57.79 6.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.7 t -49.11 -40.67 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.497 ' NE ' HG12 ' A' ' 33' ' ' VAL . 87.0 mtm180 -69.64 -58.27 4.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -51.24 -37.36 46.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 p -58.97 -31.54 68.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.464 HD13 ' CG2' ' A' ' 60' ' ' VAL . 6.8 mt -128.27 23.82 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 37' ' ' ARG . 5.5 tt0 -81.96 113.42 19.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 52.02 37.55 45.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.412 ' O ' ' C ' ' A' ' 44' ' ' ALA . 93.6 t -90.42 143.95 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.373 . . . . 0.0 111.094 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -36.35 137.47 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.056 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.28 -43.21 2.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.8 t -68.54 137.8 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.655 ' OE1' HD13 ' A' ' 18' ' ' LEU . 6.2 pt20 -114.93 -29.32 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -159.15 156.94 29.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -147.57 113.73 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -104.99 112.24 25.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.776 HG23 HG22 ' A' ' 58' ' ' VAL . 11.8 p -107.32 113.76 44.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -105.4 117.17 33.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.0 tp -84.59 -26.88 27.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -62.34 -44.9 95.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 56' ' ' GLN . 4.5 m-20 -107.16 24.38 12.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 55' ' ' ASP . 6.9 mm-40 36.21 38.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 23' ' ' PHE . 54.7 mmm -110.27 152.15 26.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.79 ' C ' HD23 ' A' ' 59' ' ' LEU . 55.6 t -142.18 114.35 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.866 HD23 ' N ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -103.73 147.01 27.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.957 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.464 ' CG2' HD13 ' A' ' 40' ' ' LEU . 71.0 t -133.71 110.18 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.501 ' CD2' HG23 ' A' ' 20' ' ' THR . 9.0 m-70 -86.98 98.82 11.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.502 HG21 ' CG2' ' A' ' 69' ' ' VAL . 8.8 t -145.1 163.11 35.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.419 HG23 HD12 ' A' ' 18' ' ' LEU . 69.7 p -88.35 -0.3 57.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.466 HD13 ' OE2' ' A' ' 68' ' ' GLU . 12.9 mt -86.29 152.31 55.14 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.554 0.693 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.1 Cg_endo -69.69 143.57 51.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.355 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' PRO . 40.2 p -34.54 -66.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 66' ' ' SER . 14.1 pt20 -34.71 -41.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.466 ' OE2' HD13 ' A' ' 64' ' ' LEU . 10.5 tt0 -64.17 -55.28 22.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.528 ' HA ' HD12 ' A' ' 72' ' ' LEU . 82.4 t -65.28 -55.09 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 69' ' ' VAL . 39.5 tt0 -36.39 -52.56 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.95 -49.19 78.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 69' ' ' VAL . 32.2 mt -54.49 -29.59 50.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.4 mt -75.11 -45.32 41.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -61.21 -26.12 67.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.06 -24.39 42.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 62.1 p -69.2 -15.36 63.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 0.0 111.079 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.5 -19.52 28.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 26' ' ' GLN . 16.4 mtt-85 -96.82 172.57 7.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -103.49 140.8 37.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -118.2 122.36 42.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.573 ' HB ' ' HB3' ' A' ' 24' ' ' ALA . 50.6 t -103.78 111.91 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.175 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.542 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 20.3 tp -67.95 117.88 10.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -84.68 -57.12 3.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.85 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -165.85 131.57 2.42 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -119.61 144.41 47.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.05 56.71 3.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 79.5 p -90.06 166.92 13.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.359 . . . . 0.0 110.935 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.88 -125.34 7.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 43.95 40.07 3.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 110.913 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.7 mt -94.6 102.28 14.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -119.36 142.95 47.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -100.27 157.78 16.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.3 p -114.84 5.47 15.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 38.23 -157.8 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.537 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -21.68 33.29 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.35 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.0 m 49.48 44.8 24.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.8 t -75.38 123.98 26.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m 64.1 42.23 5.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 110.896 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 m -138.79 130.48 27.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.833 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.12 164.61 25.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.455 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t -167.45 168.29 13.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -153.77 121.85 6.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.36 123.73 1.88 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.3 mtt -132.33 149.92 52.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.753 0.311 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -149.52 160.89 43.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.8 m -132.89 115.41 15.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -129.61 100.56 5.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.9 p -158.44 160.99 37.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 165.77 108.52 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.447 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -110.55 125.47 53.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.337 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -49.74 149.19 2.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.43 136.19 17.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.439 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 t -156.31 143.08 18.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 111.114 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.526 HD11 ' HG3' ' A' ' 47' ' ' GLN . 1.5 tt -108.82 124.99 51.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.466 ' N ' HD23 ' A' ' 18' ' ' LEU . 47.9 m -134.62 154.88 51.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.0 m -106.32 114.58 28.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.097 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.642 ' CD1' HG21 ' A' ' 69' ' ' VAL . 5.2 mt -95.8 147.32 23.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.472 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 9.9 mt-10 -121.27 103.86 9.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.44 ' HB3' ' HB1' ' A' ' 80' ' ' ALA . 86.7 m-85 -108.86 126.75 53.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.57 102.5 14.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.7 t -98.96 145.28 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -87.66 102.92 15.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.4 mtm -108.2 155.83 20.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.6 p -119.59 -44.92 2.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.167 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.3 p -139.89 179.64 6.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 31' ' ' SER . 8.8 tp-100 -48.88 -52.03 26.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' ASP . 27.9 t -34.43 -67.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.802 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.433 ' HA ' ' NH2' ' A' ' 78' ' ' ARG . 1.8 m -37.52 -45.8 0.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.73 HG13 HG11 ' A' ' 51' ' ' VAL . 90.7 t -63.07 -40.67 89.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 31' ' ' SER . 8.8 t0 -54.54 -52.71 61.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.19 -62.5 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.536 HG23 ' NH1' ' A' ' 78' ' ' ARG . 81.8 t -39.32 -49.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' GLN . 64.5 mtp180 -59.95 -54.79 41.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -53.17 -50.34 64.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.9 t -48.17 -26.09 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.845 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.484 HD13 ' CG2' ' A' ' 60' ' ' VAL . 7.3 mt -132.32 24.4 4.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 37' ' ' ARG . 52.4 tp60 -81.17 106.92 13.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.98 40.64 7.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.459 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.1 t -89.0 150.16 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.6 133.82 2.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.484 ' O ' ' NE2' ' A' ' 47' ' ' GLN . . . 88.74 -49.01 3.58 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.8 t -70.68 140.14 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 111.105 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.64 HE21 ' N ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -114.23 -29.05 7.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -158.54 156.31 29.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 70.0 t -150.15 125.11 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -113.52 131.03 56.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.73 HG11 HG13 ' A' ' 33' ' ' VAL . 57.5 t -116.33 127.16 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -124.36 103.07 8.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.4 tp -75.87 -30.83 59.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -53.94 -42.44 68.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.7 24.32 11.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 40.59 40.76 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.472 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 70.6 mmm -107.77 151.11 26.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.1 t -143.4 106.53 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.18 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.3 mp -89.78 160.81 16.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.954 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.484 ' CG2' HD13 ' A' ' 40' ' ' LEU . 93.1 t -152.77 105.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -82.45 101.28 10.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.645 HG21 ' CG2' ' A' ' 69' ' ' VAL . 5.9 t -144.13 153.99 42.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.8 p -83.58 8.79 13.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.3 mt -98.68 152.97 38.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.599 0.714 . . . . 0.0 110.966 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.1 Cg_endo -69.75 143.09 49.78 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 65' ' ' PRO . 0.4 OUTLIER -33.77 -62.54 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.484 ' CG ' ' N ' ' A' ' 68' ' ' GLU . 9.8 pt20 -34.7 -48.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.484 ' N ' ' CG ' ' A' ' 67' ' ' GLN . 6.0 tp10 -59.04 -62.82 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.645 ' CG2' HG21 ' A' ' 62' ' ' THR . 96.7 t -49.16 -47.99 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -44.26 -44.24 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.55 99.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 69' ' ' VAL . 26.7 mt -62.5 -39.31 93.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.0 mt -71.53 -51.87 21.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -53.3 -22.04 6.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.41 -16.53 58.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.2 p -84.88 10.51 11.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.4 -29.57 3.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.536 ' NH1' HG23 ' A' ' 36' ' ' VAL . 28.3 mtt180 -83.7 164.17 19.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 0.0 110.871 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -99.31 145.28 27.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.44 ' HB1' ' HB3' ' A' ' 23' ' ' PHE . . . -122.63 120.38 33.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.138 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.2 t -97.95 112.05 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.176 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.8 tp -63.71 126.75 28.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -105.65 -46.97 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -144.31 120.06 1.38 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.49 -45.34 9.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.353 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -158.38 55.77 0.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -144.9 128.0 16.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.952 0.406 . . . . 0.0 110.852 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 144.74 104.6 0.46 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -79.8 140.1 36.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.8 mt -101.33 41.41 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -87.9 144.16 26.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -93.2 140.51 29.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.0 m -135.54 153.9 51.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -113.17 -94.77 2.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 158.99 55.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.718 2.279 . . . . 0.0 112.343 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.2 t -86.46 139.84 30.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.4 m -161.98 169.74 20.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.438 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.1 m 50.57 41.63 25.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.379 . . . . 0.0 110.847 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 t -111.14 -48.77 3.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.87 -150.96 1.8 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.0 m -86.46 146.63 26.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.357 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.5 p -97.36 -45.57 6.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.75 80.36 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.1 mtm -125.35 114.65 19.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.328 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.75 124.74 52.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.3 t -119.41 108.58 14.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -111.5 147.06 36.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.82 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.0 p -142.17 166.23 25.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.71 128.21 1.04 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.52 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -139.24 144.38 38.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.726 0.298 . . . . 0.0 110.925 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 pm0 -69.26 -26.44 64.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.27 88.77 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.2 m -112.1 113.28 25.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.815 0.341 . . . . 0.0 111.161 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.4 tp -80.46 112.99 18.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 66.6 m -132.81 149.8 52.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.477 HG23 ' CD2' ' A' ' 61' ' ' HIS . 56.9 m -86.68 101.26 13.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.791 ' CD1' HG21 ' A' ' 69' ' ' VAL . 4.2 mt -82.18 120.94 25.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.548 ' HG3' HD13 ' A' ' 59' ' ' LEU . 6.5 mt-10 -93.4 128.74 39.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.429 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 59.8 m-85 -131.96 151.69 51.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.35 95.9 6.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.7 t -104.87 135.65 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -77.69 136.45 38.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.448 ' SD ' HG22 ' A' ' 33' ' ' VAL . 26.9 mtm -147.79 140.46 24.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.3 t -130.1 -40.71 1.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.5 p -121.15 162.44 20.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 31' ' ' SER . 44.0 tp60 -49.02 -55.8 10.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 30' ' ' GLN . 68.4 m -34.28 -57.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.6 m -46.57 -46.96 19.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.885 HG13 HG11 ' A' ' 51' ' ' VAL . 76.4 t -68.91 -46.16 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -50.64 -54.06 25.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.59 -63.77 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 72.6 t -40.55 -55.01 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' GLN . 50.0 mtp180 -54.79 -53.07 60.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -53.44 -51.52 62.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.9 p -50.97 -23.18 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 mt -131.67 25.12 4.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 37' ' ' ARG . 35.8 tp60 -81.93 108.81 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 43.08 40.52 4.35 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.0 t -88.99 147.6 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.39 143.43 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.07 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.86 -44.51 2.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.6 t -76.66 131.27 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -102.12 -32.81 9.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 21.5 m-20 -157.05 163.81 38.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.8 t -155.38 135.15 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -120.09 146.18 46.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.885 HG11 HG13 ' A' ' 33' ' ' VAL . 67.2 t -132.44 131.66 60.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -124.96 113.68 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.6 tp -76.41 -55.54 5.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -58.34 -37.07 74.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -91.92 -13.13 31.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 55.53 42.86 29.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.5 mmm -118.83 163.92 16.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.629 ' C ' HD23 ' A' ' 59' ' ' LEU . 71.2 t -154.99 106.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.875 HD23 ' N ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -94.18 148.02 22.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.946 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -134.7 104.43 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.477 ' CD2' HG23 ' A' ' 20' ' ' THR . 9.0 m-70 -80.51 88.94 5.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.468 HG21 HG22 ' A' ' 69' ' ' VAL . 6.1 t -137.91 157.57 46.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.2 p -81.91 2.45 30.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.3 mt -86.72 152.17 53.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.671 0.748 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.6 Cg_endo -69.72 140.73 43.52 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 65' ' ' PRO . 13.9 t -34.0 -63.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' SER . 17.8 pt20 -35.14 -53.22 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -55.96 -61.25 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.791 HG21 ' CD1' ' A' ' 21' ' ' LEU . 71.6 t -49.16 -40.41 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -60.38 -31.16 70.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.18 -37.38 66.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.02 -40.53 87.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 35.7 mt -64.87 -53.64 43.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 77' ' ' GLY . 26.2 mt-10 -50.62 -35.24 29.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -44.89 -24.85 0.82 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.483 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 66.7 p -93.24 26.13 3.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 111.145 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . 56.03 15.93 11.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 78' ' ' ARG . 5.8 mmp_? -91.64 169.56 10.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -110.27 97.77 7.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.96 113.95 25.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.072 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.4 t -112.74 104.57 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.429 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 13.5 tp -53.94 125.07 17.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -96.79 -46.5 6.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -179.75 81.63 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.423 ' HB2' HD23 ' A' ' 21' ' ' LEU . 4.8 ptm -49.95 101.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.343 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 59.69 86.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.2 p -116.21 121.03 40.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.941 0.401 . . . . 0.0 110.864 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.38 -65.72 3.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 45.42 53.66 8.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.954 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.9 mp -81.7 150.39 28.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -119.53 150.64 39.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -116.86 118.84 33.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 76.5 p -142.26 138.67 31.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 128.76 71.65 0.14 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 128.92 16.69 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.708 2.272 . . . . 0.0 112.301 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 99.8 p -45.89 104.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.2 t -109.49 -58.3 2.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.528 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -149.4 168.54 23.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.88 0.372 . . . . 0.0 110.863 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -54.16 -52.27 61.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.41 -175.97 15.93 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 m 52.49 48.5 22.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.368 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.4 p -117.53 172.29 7.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 8' ' ' MET . . . -101.53 -107.58 3.05 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.453 ' C ' ' O ' ' A' ' 7' ' ' GLY . 4.4 ptm 33.32 46.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.852 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.13 120.18 5.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t 57.74 43.3 22.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.805 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -87.85 40.7 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.8 m -126.81 169.55 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.14 131.08 3.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' GLN . 13.0 m-20 -105.01 90.32 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.771 0.319 . . . . 0.0 110.913 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' ASN . 2.3 pm0 -35.66 -37.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.76 119.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.52 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.7 m -104.9 107.97 19.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.346 . . . . 0.0 111.142 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.591 ' CA ' HG22 ' A' ' 63' ' ' THR . 66.2 tp -68.12 123.36 20.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -133.73 162.82 30.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.554 ' CG2' HD23 ' A' ' 59' ' ' LEU . 29.2 m -99.55 128.8 45.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.419 HD22 ' HB3' ' A' ' 66' ' ' SER . 5.6 mt -117.48 122.35 43.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.473 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 26.2 mt-10 -104.0 119.35 38.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 58' ' ' VAL . 66.4 m-85 -123.34 132.99 54.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.607 ' HB2' ' HG3' ' A' ' 83' ' ' LYS . . . -86.61 95.76 9.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.4 t -103.84 148.32 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -80.32 135.9 36.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 33.7 mtm -152.33 125.1 8.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 t -108.67 -43.85 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.6 t -125.11 151.75 45.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 31' ' ' SER . 7.4 tp60 -37.75 -41.26 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 30' ' ' GLN . 5.0 m -34.42 -51.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.511 ' O ' HG23 ' A' ' 36' ' ' VAL . 85.2 m -56.43 -54.5 44.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.7 t -51.67 -39.21 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.95 -45.54 91.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.82 -41.66 78.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 32' ' ' CYS . 88.6 t -62.47 -47.67 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 41' ' ' GLN . 45.2 mtp180 -65.85 -47.58 74.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -61.78 -41.88 98.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.6 p -56.03 -26.68 50.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.457 ' CB ' HG21 ' A' ' 49' ' ' VAL . 7.4 mt -130.74 22.87 5.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 37' ' ' ARG . 32.2 tp60 -77.04 115.6 16.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' GLN . . . 38.44 45.89 1.94 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 44' ' ' ALA . 78.5 t -96.89 147.17 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -33.96 130.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.71 -55.67 5.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.541 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.8 t -62.46 127.3 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 111.071 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.449 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -100.07 -33.21 10.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.449 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 1.5 t70 -160.39 158.84 30.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.457 HG21 ' CB ' ' A' ' 40' ' ' LEU . 37.3 t -150.96 112.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -99.51 140.5 33.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.0 t -122.29 131.96 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -123.6 98.31 5.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.2 tp -68.02 -26.9 66.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -59.16 -43.06 92.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -114.75 22.09 13.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 38.98 44.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 78.5 mmm -106.0 158.32 16.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 23' ' ' PHE . 55.0 t -139.94 109.78 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.554 HD23 ' CG2' ' A' ' 20' ' ' THR . 1.9 mp -92.69 147.51 22.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.0 t -140.41 105.15 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -86.38 88.74 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.7 t -138.57 159.99 40.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.591 HG22 ' CA ' ' A' ' 18' ' ' LEU . 57.2 p -88.0 2.72 51.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.0 mt -87.76 152.19 51.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.645 0.736 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.0 Cg_endo -69.71 137.54 35.86 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' PRO . 57.0 p -35.6 -65.58 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 66' ' ' SER . 13.2 pt20 -34.47 -41.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 9.1 tt0 -66.73 -54.11 26.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.469 ' HA ' HD12 ' A' ' 72' ' ' LEU . 86.7 t -61.28 -53.03 54.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 69' ' ' VAL . 47.9 tt0 -33.49 -52.83 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.32 -46.2 86.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 69' ' ' VAL . 95.4 mt -51.9 -42.32 62.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mt -68.5 -41.02 80.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -61.05 -30.85 70.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.24 -27.73 53.14 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.405 ' HB ' ' NH2' ' A' ' 78' ' ' ARG . 68.6 p -69.32 -22.39 63.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 111.183 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.22 -32.58 5.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.405 ' NH2' ' HB ' ' A' ' 76' ' ' THR . 23.4 mtm-85 -80.81 165.91 21.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -103.59 121.59 43.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.415 ' HB1' ' HB3' ' A' ' 23' ' ' PHE . . . -97.83 110.98 23.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.1 t -101.18 105.79 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.672 HD21 ' HB2' ' A' ' 85' ' ' MET . 24.2 tp -50.24 134.39 22.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.607 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 35.0 mmtm -117.52 -51.48 2.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -138.67 88.33 0.2 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.672 ' HB2' HD21 ' A' ' 82' ' ' LEU . 1.3 tmt? -66.12 -39.7 90.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -153.29 122.09 1.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.1 p -82.42 171.54 14.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.381 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 146.62 72.81 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.538 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -144.04 128.62 18.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.853 0.358 . . . . 0.0 110.948 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 40.3 mt -59.91 169.84 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -96.43 166.37 11.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -174.49 148.56 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.8 t -113.16 105.45 13.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -118.57 160.5 13.95 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 99.52 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.0 m -71.63 177.13 4.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.0 p -121.59 165.69 15.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.488 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -92.11 137.93 31.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -100.93 -44.03 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.21 172.2 13.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.521 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.1 p -166.16 164.56 17.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.93 0.395 . . . . 0.0 110.877 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.8 p -148.88 162.57 39.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.62 -161.4 9.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.14 171.97 17.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.75 0.31 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -151.64 157.55 42.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.063 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.0 t -152.61 143.17 22.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -158.88 144.4 16.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.1 t -130.6 136.99 49.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.9 108.13 2.68 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.476 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -53.05 129.3 30.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -171.46 132.68 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.1 152.31 6.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.446 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.7 t -151.72 136.06 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 0.0 111.164 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.594 HD21 ' HG2' ' A' ' 47' ' ' GLN . 11.9 tp -58.07 122.63 13.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.4 m -131.47 138.0 48.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.577 HG21 HD13 ' A' ' 59' ' ' LEU . 59.9 m -84.7 125.49 32.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.544 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -111.11 112.38 24.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.495 ' HB3' ' HE1' ' A' ' 57' ' ' MET . 5.7 mt-10 -79.78 104.81 10.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.546 ' CE1' ' HG ' ' A' ' 82' ' ' LEU . 59.9 m-85 -112.7 115.32 28.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.46 97.18 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.8 t -97.37 131.14 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -79.48 107.38 12.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 8.8 mtm -100.42 165.84 11.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.0 p -133.4 -39.45 0.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.1 p -152.64 176.05 12.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 31' ' ' SER . 46.0 tp60 -43.67 -56.07 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 34' ' ' ASP . 6.8 t -34.25 -66.69 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.429 ' O ' HG23 ' A' ' 36' ' ' VAL . 20.9 m -38.55 -48.79 1.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.674 HG13 HG11 ' A' ' 51' ' ' VAL . 79.3 t -59.71 -37.06 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 31' ' ' SER . 7.4 t0 -64.07 -45.56 88.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.01 -34.64 78.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.763 HG23 HH12 ' A' ' 78' ' ' ARG . 55.7 t -64.68 -45.86 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 41' ' ' GLN . 66.3 mtp85 -71.16 -46.94 60.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -62.61 -45.7 91.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.3 p -55.3 -19.77 9.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 mt -134.44 23.81 3.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 37' ' ' ARG . 54.4 tp60 -85.98 114.75 23.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 50.41 46.74 44.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.5 t -98.92 141.66 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.867 0.365 . . . . 0.0 111.082 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -43.37 130.8 4.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.46 -50.83 2.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 83.7 t -71.2 147.24 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.125 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.594 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -116.7 -31.57 5.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.412 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 15.5 t0 -153.72 165.13 36.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.3 p -156.89 112.02 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -103.17 121.35 42.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.674 HG11 HG13 ' A' ' 33' ' ' VAL . 11.6 p -105.74 107.62 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -101.03 99.48 9.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.3 tp -72.72 -33.0 66.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -54.94 -59.27 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.2 22.1 6.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 39.07 46.81 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.495 ' HE1' ' HB3' ' A' ' 22' ' ' GLU . 69.4 mmm -119.97 156.76 30.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.5 t -143.77 115.19 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.577 HD13 HG21 ' A' ' 20' ' ' THR . 3.4 mt -101.1 135.12 43.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.9 t -124.16 104.05 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -79.23 89.12 4.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.576 HG21 ' CG2' ' A' ' 69' ' ' VAL . 7.5 t -136.88 157.57 46.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 60.4 p -79.94 -13.88 59.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.1 mt -76.79 152.15 82.7 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.589 0.709 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.82 51.91 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.312 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 68' ' ' GLU . 2.9 m -40.27 -63.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 66' ' ' SER . 18.0 pt20 -34.6 -34.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 66' ' ' SER . 3.4 tp10 -73.3 -60.25 2.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.576 ' CG2' HG21 ' A' ' 62' ' ' THR . 76.6 t -53.79 -37.91 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -51.2 -32.65 24.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.45 -39.71 45.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.9 mt -66.67 -28.97 68.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.6 mt -75.17 -48.52 23.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 77' ' ' GLY . 26.1 mt-10 -54.29 -30.89 52.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -42.07 -24.73 0.2 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 74' ' ' GLU . 63.4 p -86.17 24.41 1.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.806 0.336 . . . . 0.0 111.147 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . 57.19 35.32 69.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.763 HH12 HG23 ' A' ' 36' ' ' VAL . 31.2 mtp180 -131.81 171.33 13.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.885 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -104.81 135.43 46.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -121.02 111.39 17.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.12 118.75 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.178 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.546 ' HG ' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -76.4 121.2 22.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.437 ' N ' HD23 ' A' ' 82' ' ' LEU . 24.8 mmtp -98.64 -30.51 12.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.416 ' H ' ' CD2' ' A' ' 82' ' ' LEU . . . 176.46 145.65 5.71 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.436 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.5 mtm -87.42 53.82 2.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 60.85 73.54 0.48 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.4 m -162.04 146.73 12.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.922 0.391 . . . . 0.0 110.826 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.65 -86.5 1.35 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.538 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 38.9 tp60 50.0 41.08 22.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 0.0 110.973 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.454 HD23 ' C ' ' A' ' 90' ' ' LEU . 3.6 tt -85.77 151.7 23.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -141.38 172.95 11.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -135.19 128.23 31.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.6 t -169.89 130.53 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 132.35 74.08 0.1 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 102.07 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.324 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.0 m -102.41 123.63 46.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -156.61 152.69 27.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.477 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.7 p 47.56 42.12 14.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.801 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.1 m -120.49 161.4 21.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.97 168.01 38.01 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -131.86 166.45 21.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.38 . . . . 0.0 110.844 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -157.72 176.8 12.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.853 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.66 137.37 2.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.45 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.5 mtp -141.07 148.52 40.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.44 163.18 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -147.02 163.66 35.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' SER . 39.0 m-20 -125.82 -42.61 1.9 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' ASP . 58.4 m 35.84 38.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -154.49 139.13 6.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -141.86 128.26 20.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.808 0.337 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -123.28 116.03 22.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.85 139.21 10.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.497 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 t -151.26 127.0 10.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.342 . . . . 0.0 111.124 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.686 HD21 ' HG2' ' A' ' 47' ' ' GLN . 14.2 tp -68.81 128.09 35.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.0 p -128.69 154.14 46.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.0 m -102.99 125.92 49.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.66 HD22 ' HB3' ' A' ' 66' ' ' SER . 2.7 mt -116.15 119.05 34.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' HB3' ' CE ' ' A' ' 57' ' ' MET . 21.2 mt-10 -101.18 103.59 14.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.64 ' HB3' ' HB1' ' A' ' 80' ' ' ALA . 79.0 m-85 -105.12 137.03 43.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.77 97.87 11.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.455 ' CG1' ' CD ' ' A' ' 78' ' ' ARG . 48.0 t -98.61 147.33 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -90.77 118.42 30.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.1 mtm -132.33 138.29 47.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.3 p -107.81 -60.56 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.171 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 30' ' ' GLN . 2.6 t -107.01 149.26 27.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 29' ' ' CYS . 22.5 tp60 -33.65 -41.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 34' ' ' ASP . 18.0 p -34.38 -69.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' SER . 74.1 m -36.52 -46.53 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.562 HG21 ' HB2' ' A' ' 53' ' ' LEU . 67.6 t -61.72 -40.76 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' SER . 7.1 m-20 -59.67 -41.72 91.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.74 -54.77 9.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.7 t -41.47 -44.88 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' GLN . 59.7 mtm180 -67.41 -54.46 20.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -54.77 -31.26 58.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.7 t -60.8 -35.67 77.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.531 ' HB2' HG21 ' A' ' 49' ' ' VAL . 4.1 mt -126.73 20.57 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 37' ' ' ARG . 14.6 tt0 -71.23 110.05 5.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 45.05 44.77 9.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' ALA . 79.4 t -96.28 143.89 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.862 0.363 . . . . 0.0 111.091 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -36.35 141.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.02 -52.63 4.27 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.3 t -64.85 137.02 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.686 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -109.03 -33.22 6.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.434 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 8.7 t0 -158.5 154.29 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.531 HG21 ' HB2' ' A' ' 40' ' ' LEU . 76.1 t -147.79 115.86 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -106.98 112.44 25.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 51' ' ' VAL . 9.3 p -104.5 124.05 58.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -117.55 104.85 11.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.562 ' HB2' HG21 ' A' ' 33' ' ' VAL . 4.5 tp -71.6 -29.73 65.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -57.64 -48.58 79.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 56' ' ' GLN . 1.2 m-20 -103.4 25.17 9.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 55' ' ' ASP . 8.1 mm-40 34.45 45.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.45 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 54.9 mmm -114.35 158.01 22.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.6 t -140.49 112.59 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.516 ' O ' HG13 ' A' ' 49' ' ' VAL . 3.4 mp -97.13 153.2 18.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.5 t -151.5 104.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -87.7 95.11 9.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.463 HG21 ' CG2' ' A' ' 69' ' ' VAL . 8.8 t -141.94 159.56 41.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.0 p -79.09 -12.11 60.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.578 HD13 ' OE2' ' A' ' 68' ' ' GLU . 20.3 mt -74.06 151.92 88.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.658 0.742 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 146.42 60.61 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.723 2.282 . . . . 0.0 112.379 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.66 ' HB3' HD22 ' A' ' 21' ' ' LEU . 60.3 p -45.98 -34.79 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -62.94 -37.01 85.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.578 ' OE2' HD13 ' A' ' 64' ' ' LEU . 10.5 tt0 -71.68 -50.23 32.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.911 ' HA ' HD12 ' A' ' 72' ' ' LEU . 48.3 t -62.04 -46.25 96.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -41.76 -54.87 3.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.24 97.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.911 HD12 ' HA ' ' A' ' 69' ' ' VAL . 22.1 mt -56.58 -29.73 62.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.3 mt -79.68 -51.37 9.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -52.39 -22.14 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.25 -7.75 20.36 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.5 p -91.11 -3.23 57.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 0.0 111.18 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.21 -48.95 0.88 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.455 ' CD ' ' CG1' ' A' ' 25' ' ' VAL . 6.7 ptp85 -80.77 172.56 13.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 110.844 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 80' ' ' ALA . 66.0 tt0 -102.81 164.67 11.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.64 ' HB1' ' HB3' ' A' ' 23' ' ' PHE . . . -133.01 111.71 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.433 HG12 ' HE2' ' A' ' 83' ' ' LYS . 85.9 t -96.42 104.83 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 85' ' ' MET . 9.5 tp -55.44 133.66 50.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.433 ' HE2' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -115.25 -43.53 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.823 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -140.27 100.77 0.28 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.534 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.6 ' HB2' HD21 ' A' ' 82' ' ' LEU . 1.5 tmt? -92.99 125.52 37.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.349 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.67 -178.18 26.04 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.48 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.5 t -48.62 132.57 17.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.933 0.396 . . . . 0.0 110.823 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.6 125.45 2.22 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -137.9 114.28 10.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.3 tp -80.28 141.0 35.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -161.23 129.6 4.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -105.02 105.88 16.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.8 p -66.32 134.43 52.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.62 84.82 0.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 152.09 69.15 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.1 t -168.21 146.82 4.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.5 p -104.85 169.52 8.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.808 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.455 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -158.79 129.54 6.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 110.833 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 m -110.79 148.68 31.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.17 60.85 4.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -113.29 143.77 43.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.362 . . . . 0.0 110.893 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 t -86.34 164.39 17.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.15 78.61 0.18 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.5 ptm -104.4 165.64 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.318 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.14 133.76 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.083 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.6 t -88.2 154.57 20.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -118.45 121.93 41.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 98.0 p -76.55 137.13 39.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -40.55 151.7 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.454 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -92.99 -59.57 2.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -128.1 115.11 17.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.85 -171.93 46.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.517 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.2 142.66 18.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 111.106 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.734 HD21 ' HG2' ' A' ' 47' ' ' GLN . 13.6 tp -71.54 124.02 23.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.8 m -131.34 147.31 52.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.615 HG21 HD13 ' A' ' 59' ' ' LEU . 25.2 m -94.56 125.78 39.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.552 HD22 ' N ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -111.43 109.99 20.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.485 ' HG2' HD21 ' A' ' 59' ' ' LEU . 13.4 mt-10 -78.38 110.58 13.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 21' ' ' LEU . 61.7 m-85 -117.8 114.84 23.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.43 97.52 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.477 HG11 ' HD2' ' A' ' 78' ' ' ARG . 91.7 t -97.25 134.86 33.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -83.62 105.27 14.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.1 mtm -119.63 150.39 40.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.5 p -121.43 -48.15 2.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' GLN . 1.4 t -124.72 152.33 43.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' VAL . 15.9 tp60 -35.23 -44.07 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' GLN . 12.4 m -34.09 -55.99 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.94 ' O ' HG23 ' A' ' 36' ' ' VAL . 7.3 m -56.91 -44.47 82.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.711 HG13 HG21 ' A' ' 51' ' ' VAL . 53.4 t -60.66 -43.93 95.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -55.77 -52.0 65.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.64 -38.0 89.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.94 HG23 ' O ' ' A' ' 32' ' ' CYS . 98.9 t -59.34 -49.85 81.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.548 ' NE ' HG12 ' A' ' 51' ' ' VAL . 55.1 mtt180 -68.42 -51.98 37.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 41' ' ' GLN . 42.9 tttt -55.6 -44.85 77.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.6 p -50.38 -27.56 6.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 mt -129.82 17.61 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 37' ' ' ARG . 22.3 tt0 -79.54 106.75 11.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.36 42.0 98.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 44' ' ' ALA . 78.3 t -101.47 136.79 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.352 . . . . 0.0 111.076 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -35.89 138.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.26 -50.67 4.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.2 t -71.67 138.7 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.756 0.312 . . . . 0.0 111.177 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.734 ' HG2' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -109.76 -37.43 5.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 10.1 m-20 -153.41 156.26 37.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.3 p -150.85 116.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.504 ' OE1' ' CD2' ' A' ' 61' ' ' HIS . 16.3 mp0 -101.75 143.46 31.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.711 HG21 HG13 ' A' ' 33' ' ' VAL . 2.8 p -129.19 107.14 14.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -101.96 102.09 12.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.6 tp -71.89 -30.42 65.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -59.27 -47.66 84.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 56' ' ' GLN . 3.6 m-20 -104.92 22.88 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 55' ' ' ASP . 4.3 mm-40 37.26 44.48 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.458 ' CE ' ' HB3' ' A' ' 22' ' ' GLU . 47.6 mmm -116.35 157.98 24.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.4 t -148.23 115.8 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.148 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.615 HD13 HG21 ' A' ' 20' ' ' THR . 3.4 mt -99.51 145.0 27.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.2 t -132.95 99.16 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.504 ' CD2' ' OE1' ' A' ' 50' ' ' GLU . 7.8 m-70 -74.75 88.92 2.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.543 HG21 ' CG2' ' A' ' 69' ' ' VAL . 5.2 t -136.66 155.04 50.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.7 p -80.72 -9.11 59.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.7 mt -78.6 152.27 77.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.592 0.711 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.7 Cg_endo -69.79 139.83 41.07 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 65' ' ' PRO . 7.8 t -34.1 -64.32 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 66' ' ' SER . 15.5 pt20 -35.36 -46.57 0.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 22.7 tt0 -60.07 -57.53 12.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.783 ' HA ' HD12 ' A' ' 72' ' ' LEU . 55.2 t -58.14 -55.55 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 69' ' ' VAL . 48.1 tt0 -34.46 -47.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.11 -46.91 82.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.057 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 69' ' ' VAL . 25.2 mt -54.38 -27.95 39.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.0 mt -79.31 -42.33 25.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.942 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -62.89 -20.52 65.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.49 -27.67 72.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.451 ' OG1' ' CZ ' ' A' ' 78' ' ' ARG . 82.6 p -71.37 -24.74 62.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 111.171 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.24 -39.17 1.94 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.815 ' HE ' HG22 ' A' ' 36' ' ' VAL . 5.0 ptt-85 -80.69 172.23 14.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 110.877 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -102.84 153.75 19.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.416 ' HB1' ' HB3' ' A' ' 23' ' ' PHE . . . -133.06 110.13 10.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.7 t -98.18 126.67 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.2 tp -76.18 116.67 17.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -82.53 -55.73 4.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -172.95 138.81 4.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.1 mtt -69.99 77.49 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 104.38 -178.26 24.25 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.5 m -90.22 82.25 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 0.0 110.906 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 53.15 103.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -147.99 139.6 23.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.362 . . . . 0.0 110.912 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.5 tp -104.34 96.35 6.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -95.47 118.05 31.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.419 ' O ' ' CG ' ' A' ' 92' ' ' ASN . 1.1 p-10 -105.72 118.02 35.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 t -117.53 -69.29 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 146.82 152.69 5.7 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 96' ' ' SER . 53.6 Cg_endo -69.75 -5.56 16.49 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.323 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 95' ' ' PRO . 70.7 m -35.72 101.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.7 m -63.39 -39.28 94.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.896 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -109.34 112.6 24.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 110.874 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 t -126.42 151.62 47.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.18 154.2 16.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.9 p -149.76 124.48 9.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.875 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.5 p -122.91 138.77 54.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.83 -84.08 0.97 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.4 mtt 53.78 43.74 30.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.85 81.55 1.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 t -93.85 165.29 12.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -114.86 165.57 12.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 p -162.18 165.82 26.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 103.0 41.61 2.24 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.538 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -97.36 103.94 15.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.42 131.37 48.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -116.56 110.75 2.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.444 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.49 129.2 19.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 111.149 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 tt -94.86 121.22 36.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.3 m -134.39 154.35 51.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.3 m -90.24 106.08 18.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.782 HD22 ' HB3' ' A' ' 66' ' ' SER . 4.1 mt -82.47 122.18 27.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.474 ' HG2' HD21 ' A' ' 59' ' ' LEU . 15.0 mt-10 -93.75 112.03 23.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.468 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 64.8 m-85 -116.81 154.13 31.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.79 96.03 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.9 t -102.64 136.53 34.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -87.17 116.11 25.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 13.7 mtm -117.57 169.58 9.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.8 p -128.78 -53.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.6 p -135.19 -179.06 5.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' VAL . 3.6 tm0? -50.94 -51.89 47.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' GLN . 14.8 m -36.57 -51.08 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.447 ' SG ' ' NH2' ' A' ' 78' ' ' ARG . 13.2 m -55.68 -41.97 74.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 30' ' ' GLN . 78.7 t -63.27 -42.66 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -57.84 -49.6 76.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.52 -60.7 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.063 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.2 t -45.64 -47.25 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.509 ' HG3' HG21 ' A' ' 51' ' ' VAL . 60.6 mtt-85 -62.17 -57.6 10.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -51.43 -35.97 41.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.432 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 35.7 t -58.9 -27.99 65.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.456 HD21 ' HB2' ' A' ' 72' ' ' LEU . 5.9 mt -131.14 19.95 4.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 37' ' ' ARG . 12.4 tt0 -79.6 113.36 17.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 54.32 40.12 67.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.438 HG21 ' HA ' ' A' ' 40' ' ' LEU . 59.8 t -93.57 136.64 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.322 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -39.09 124.72 1.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.6 -52.82 0.85 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.8 t -64.67 137.85 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.344 . . . . 0.0 111.1 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.476 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 4.0 pt20 -109.12 -29.42 8.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 10.9 m-20 -161.75 159.49 27.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 p -152.28 133.62 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -125.88 131.15 52.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.509 HG21 ' HG3' ' A' ' 37' ' ' ARG . 48.7 t -112.56 118.27 57.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -109.01 99.58 8.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 52.7 tp -73.03 -23.17 60.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -64.19 -39.99 95.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -116.97 27.09 9.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 55' ' ' ASP . 10.7 mm-40 36.71 37.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.5 mmm -108.89 153.06 24.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 42.0 t -139.68 111.24 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.474 HD21 ' HG2' ' A' ' 22' ' ' GLU . 2.8 mt -94.74 135.66 35.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.8 t -128.84 109.36 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -85.29 96.37 9.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.478 HG21 ' CG2' ' A' ' 69' ' ' VAL . 7.0 t -144.64 158.92 43.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.1 p -85.17 -2.26 57.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.406 HD13 ' OE2' ' A' ' 68' ' ' GLU . 5.0 mt -84.26 152.7 61.79 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.62 0.724 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 68' ' ' GLU . 54.0 Cg_endo -69.72 138.14 37.26 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.381 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.782 ' HB3' HD22 ' A' ' 21' ' ' LEU . 1.9 p -36.6 -39.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -55.7 -46.46 77.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' PRO . 12.8 tt0 -62.31 -55.35 29.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.478 ' CG2' HG21 ' A' ' 62' ' ' THR . 88.2 t -54.88 -50.47 61.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -38.14 -54.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.74 -48.38 72.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.456 ' HB2' HD21 ' A' ' 40' ' ' LEU . 62.4 mt -54.52 -38.07 66.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.435 ' HG ' HD11 ' A' ' 40' ' ' LEU . 11.7 mt -70.42 -49.67 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -54.59 -26.45 32.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -49.34 -30.89 12.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.438 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 47.7 p -83.24 19.64 1.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.352 . . . . 0.0 111.116 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.53 32.3 80.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.447 ' NH2' ' SG ' ' A' ' 32' ' ' CYS . 67.3 mtt-85 -119.04 168.86 10.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.799 0.333 . . . . 0.0 110.846 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -111.31 108.28 17.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.11 112.58 24.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.1 t -103.48 112.42 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 22' ' ' GLU . 23.7 tp -65.47 120.17 12.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.991 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -44.17 11.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 175.51 110.91 0.27 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.539 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.8 ptm -83.26 138.7 33.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.69 -75.71 2.19 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.0 p -131.23 171.3 13.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.905 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 138.82 94.77 0.3 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.452 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -94.56 156.71 16.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.2 mt -100.18 144.83 28.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -139.25 121.63 16.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.54 160.2 15.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.7 t -162.91 139.44 7.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 144.46 82.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -177.58 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.7 m -99.19 -57.13 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.6 t -91.04 147.18 23.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.5 p -153.74 -179.13 7.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.831 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -162.87 145.39 10.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.06 174.17 15.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.494 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -173.24 176.42 2.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 0.0 110.85 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 8' ' ' MET . 1.4 t -62.73 112.55 2.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 8' ' ' MET . . . -40.67 93.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 6' ' ' SER . 4.5 ttt -35.81 151.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.57 173.5 8.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 11' ' ' ASP . 2.3 m -173.84 125.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' SER . 11.2 m-20 36.93 44.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.6 t -100.32 114.95 28.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -150.49 168.74 30.39 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.521 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -151.64 153.65 34.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.749 0.309 . . . . 0.0 110.905 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -86.1 86.58 7.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.89 101.71 0.33 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 17' ' ' THR . 10.3 t -133.13 127.45 33.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.801 0.334 . . . . 0.0 111.151 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.677 HD13 ' OE1' ' A' ' 47' ' ' GLN . 1.8 tt -89.6 138.78 31.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.8 m -134.37 164.79 26.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.1 m -99.13 121.96 41.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.09 125.82 54.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -99.05 142.97 29.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -141.86 130.97 23.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.41 95.17 9.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.0 t -99.36 141.99 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -89.79 101.88 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.4 mtm -95.54 166.01 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.5 p -131.32 -53.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.4 p -133.39 179.17 6.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' VAL . 41.4 tp60 -48.73 -56.54 8.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 30' ' ' GLN . 36.9 t -34.39 -61.7 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 36.4 m -41.55 -43.33 2.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.487 HG13 ' CG2' ' A' ' 51' ' ' VAL . 60.2 t -67.92 -34.79 69.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' SER . 5.7 t0 -61.53 -52.69 63.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.33 -50.93 71.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.437 ' HA ' ' NH2' ' A' ' 78' ' ' ARG . 26.0 t -41.92 -52.06 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 41' ' ' GLN . 37.7 mtp85 -69.59 -53.31 19.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -52.28 -25.67 10.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.2 p -73.96 -26.47 60.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mt -132.39 24.06 4.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.949 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 37' ' ' ARG . 12.5 pt20 -80.61 120.3 24.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 40.3 49.65 3.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 41' ' ' GLN . 99.2 t -108.06 136.4 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' VAL . . . -35.28 134.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.32 -50.28 3.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.6 t -72.49 117.32 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 111.122 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.677 ' OE1' HD13 ' A' ' 18' ' ' LEU . 6.4 pt20 -91.52 -29.76 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -161.7 161.99 29.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 59' ' ' LEU . 7.6 p -153.63 136.53 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -122.36 130.77 53.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.525 ' O ' HG13 ' A' ' 51' ' ' VAL . 7.7 p -122.35 110.75 27.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.075 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -105.5 122.24 45.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.7 tp -84.67 -50.45 7.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -55.9 -31.06 62.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -103.87 4.84 35.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 43.12 37.02 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 65.9 mmm -112.64 162.38 15.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.426 HG22 HG23 ' A' ' 51' ' ' VAL . 19.3 t -151.77 105.72 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.509 ' O ' HG23 ' A' ' 49' ' ' VAL . 5.4 mp -89.92 162.53 15.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.8 t -152.71 105.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -86.93 97.45 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.457 HG21 ' CG2' ' A' ' 69' ' ' VAL . 8.9 t -145.09 163.14 35.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.2 p -87.03 3.11 47.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -90.34 152.24 45.39 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.553 0.692 . . . . 0.0 110.951 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 67' ' ' GLN . 54.5 Cg_endo -69.73 135.45 30.54 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.716 2.277 . . . . 0.0 112.374 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.471 ' HB2' HD12 ' A' ' 82' ' ' LEU . 3.4 p -34.31 -33.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' PRO . 5.3 tt0 -58.64 -54.31 48.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -57.11 -51.85 67.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.573 ' HA ' HD12 ' A' ' 72' ' ' LEU . 46.5 t -57.0 -48.27 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -46.05 -41.85 12.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.38 -37.27 82.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 69' ' ' VAL . 56.2 mt -63.83 -37.78 88.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.6 mt -71.97 -45.82 59.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -61.79 -21.2 64.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.36 -31.94 67.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.729 HG21 ' CZ ' ' A' ' 78' ' ' ARG . 68.1 p -68.68 -21.76 64.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.848 0.356 . . . . 0.0 111.146 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.91 12.72 29.23 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.455 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.729 ' CZ ' HG21 ' A' ' 76' ' ' THR . 7.0 ptt180 -104.51 172.82 6.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.752 0.31 . . . . 0.0 110.868 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -104.66 110.38 22.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.51 123.88 50.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.9 t -119.85 117.36 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.723 HD23 ' N ' ' A' ' 83' ' ' LYS . 1.3 tt -67.69 137.53 55.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.723 ' N ' HD23 ' A' ' 82' ' ' LEU . 30.3 mmtp -112.39 -43.8 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -175.69 115.69 0.54 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 29.2 mtp -42.82 -74.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.22 -103.27 0.1 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.532 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.3 t -171.13 134.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -126.13 81.11 0.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -67.66 83.08 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 0.0 110.958 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.0 tp -104.9 125.99 51.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -118.24 141.26 48.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -162.24 171.85 16.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.3 m -128.28 41.69 3.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.426 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 65.23 104.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.426 ' HD2' ' HA2' ' A' ' 94' ' ' GLY . 53.7 Cg_endo -69.8 120.23 7.04 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.314 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.7 p -46.64 115.11 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 98.6 p -71.63 157.94 37.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 -179.998 . . . . . . . . 0 0 . 1 stop_ save_