data_1v85_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 1v85 _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 ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.516 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -70.22 -6.85 37.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.879 0.371 . . . . 0.0 110.926 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.544 HD11 ' CH2' ' A' ' 20' ' ' TRP . 3.9 mm? -46.24 -59.76 2.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.433 HG22 ' N ' ' A' ' 14' ' ' HIS . 24.1 m -63.93 -46.57 93.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.433 ' N ' HG22 ' A' ' 13' ' ' VAL . 78.3 m-70 -50.34 -31.58 14.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -102.48 124.3 47.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.93 136.88 6.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.468 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 66.3 t -67.76 -23.81 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.087 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.555 ' CG ' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -77.41 0.41 22.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -115.56 -3.1 12.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.544 ' CH2' HD11 ' A' ' 12' ' ' LEU . 41.7 m0 -64.44 168.58 5.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 23' ' ' GLU . 25.3 p -121.76 162.06 21.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -42.9 -23.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 21' ' ' THR . 6.6 tt0 -81.67 -61.46 1.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -55.18 -40.02 70.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.9 t -52.41 -46.05 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.1 t -75.57 -33.82 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.98 -49.2 75.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.54 ' CH2' HD12 ' A' ' 81' ' ' LEU . 12.2 t90 -61.72 -39.35 91.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.455 HD23 ' CZ ' ' A' ' 43' ' ' PHE . 6.7 tp -75.41 -24.62 57.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -78.79 5.92 10.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -108.24 -26.73 10.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.462 ' HB3' ' CG1' ' A' ' 76' ' ' VAL . 5.7 mt -62.95 -26.74 68.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.64 163.57 28.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -20.05 35.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.655 2.237 . . . . 0.0 112.341 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.597 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.5 p-90 -72.91 -13.54 61.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.96 -27.51 61.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 t -68.41 -14.8 63.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.3 mt -83.7 -13.18 54.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.59 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 65.8 m-85 -118.15 -30.24 5.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.441 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 10.7 ptm180 -40.62 -44.95 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.402 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -51.76 -40.36 60.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.5 mtt85 -72.12 -24.49 61.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.455 ' CZ ' HD23 ' A' ' 29' ' ' LEU . 4.9 m-85 -76.73 -41.73 43.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.441 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 3.3 mm? -72.62 -54.62 8.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -52.35 -44.51 65.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -85.37 12.07 9.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 40.49 34.35 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.1 t -60.25 103.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -89.71 175.04 7.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -55.53 -57.95 16.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.11 -36.82 6.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.893 0.378 . . . . 0.0 110.884 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.0 tp -81.18 -33.12 33.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.467 HD22 ' CZ3' ' A' ' 28' ' ' TRP . 53.8 tp -60.59 -37.06 80.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.555 ' CD1' ' CG ' ' A' ' 18' ' ' ASP . 96.9 mt -72.03 -41.15 67.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.7 p -60.04 -40.15 88.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.2 mt -55.79 126.79 27.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.6 p -110.66 171.79 7.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -40.9 -44.53 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 62' ' ' SER . 4.0 mt-10 -63.03 -67.81 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 59' ' ' GLU . 5.4 mm-40 -36.52 -46.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -60.98 -42.11 97.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 59' ' ' GLU . 1.4 t -75.0 -13.9 60.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.7 mmm-85 -96.55 147.92 23.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.488 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -56.97 162.13 4.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.572 0.701 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.6 Cg_endo -69.75 -28.91 6.0 Favored 'Cis proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.354 -0.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 67' ' ' THR . 2.4 m-85 -48.46 -44.18 35.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 66' ' ' TYR . 14.5 t 33.43 37.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.138 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 66' ' ' TYR . 75.7 mt -45.57 93.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' THR . 36.7 mt-10 -81.24 41.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -154.7 106.08 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 74' ' ' ARG . 19.9 m -53.11 -58.48 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 71' ' ' SER . 7.8 t -36.93 -42.71 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.893 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.597 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 56.5 t-80 -60.61 -44.31 96.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' SER . 17.8 mtm105 -67.64 -39.78 84.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -36.09 79.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 93.7 t -69.31 -44.52 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' A' ' 73' ' ' HIS . 62.3 mt -69.03 -63.58 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.7 mt -46.8 -52.81 13.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.6 m -56.11 -67.86 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -45.94 -39.01 8.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.54 HD12 ' CH2' ' A' ' 28' ' ' TRP . 7.7 tp -61.8 -44.67 96.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -58.38 -17.7 22.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -88.16 -57.14 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.468 HG13 ' NE1' ' A' ' 28' ' ' TRP . 25.6 m -60.95 -31.77 50.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.447 ' N ' HG23 ' A' ' 84' ' ' VAL . 17.5 ptt180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.537 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -52.88 -19.32 2.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.937 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.439 ' N ' HD11 ' A' ' 11' ' ' LEU . 12.2 mt -41.07 -67.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.461 HG22 ' N ' ' A' ' 14' ' ' HIS . 32.6 m -49.39 -49.64 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.461 ' N ' HG22 ' A' ' 13' ' ' VAL . 43.3 t-80 -49.27 -74.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -57.02 119.87 7.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.53 140.26 3.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.542 HG22 ' CH2' ' A' ' 20' ' ' TRP . 88.5 t -66.44 -29.39 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.414 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 1.0 OUTLIER -65.95 -4.54 7.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.414 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 2.2 mptm? -113.12 -2.27 14.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.542 ' CH2' HG22 ' A' ' 17' ' ' VAL . 42.4 m0 -66.92 163.55 19.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.8 p -114.55 159.04 20.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.7 m -42.96 -27.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -78.58 -54.52 6.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -60.0 -41.2 91.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.1 t -51.73 -44.78 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.7 t -74.29 -32.95 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.62 -48.66 76.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.967 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.484 ' CZ3' HD22 ' A' ' 53' ' ' LEU . 11.0 t90 -61.76 -40.09 93.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.537 HD21 ' CE2' ' A' ' 43' ' ' PHE . 6.9 tp -73.55 -28.9 62.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.454 ' HA ' ' CB ' ' A' ' 36' ' ' ALA . 33.7 mt-10 -75.4 5.58 5.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.445 ' NE2' ' HA ' ' A' ' 28' ' ' TRP . 38.0 mt-30 -107.28 -27.32 10.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mt -63.43 -23.75 67.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.55 164.74 29.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -21.66 33.23 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.436 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 13.3 p-90 -71.71 -14.22 61.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.454 ' CB ' ' HA ' ' A' ' 30' ' ' GLU . . . -58.97 -20.45 52.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.5 t -77.15 -7.99 56.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.3 mt -89.79 -15.7 31.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.422 ' O ' ' N ' ' A' ' 42' ' ' ARG . 63.3 m-85 -113.84 -24.97 8.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.42 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 14.8 ptt85 -38.51 -46.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.42 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -53.04 -43.56 66.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 39' ' ' TYR . 36.8 mtt-85 -66.37 -26.41 67.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.537 ' CE2' HD21 ' A' ' 29' ' ' LEU . 3.5 m-85 -79.21 -47.95 15.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.408 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 3.3 mm? -66.3 -55.76 14.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 t -50.53 -47.22 57.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -82.27 17.17 1.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 38.85 34.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.3 t -55.38 104.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 50' ' ' GLY . 4.2 p-10 -97.04 162.18 13.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 49' ' ' ASN . . . -34.23 -67.7 0.24 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.42 -48.73 3.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.423 ' C ' HD12 ' A' ' 52' ' ' LEU . 3.0 tm? -59.24 -48.84 80.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.484 HD22 ' CZ3' ' A' ' 28' ' ' TRP . 19.6 tp -49.52 -44.08 46.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.2 mt -68.64 -50.12 53.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.7 p -51.18 -27.39 8.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.4 mt -67.99 129.69 40.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.2 p -118.33 172.25 7.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -51.52 -16.95 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.1 -59.22 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -47.0 -37.29 8.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -64.26 -31.13 72.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.2 t -77.97 6.1 8.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -115.62 145.88 42.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.472 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -63.74 163.93 19.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.617 0.722 . . . . 0.0 111.081 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.472 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.3 Cg_endo -69.81 -16.62 12.28 Favored 'Cis proline' 0 C--O 1.232 0.179 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.316 0.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.506 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.8 m-85 -56.28 -46.78 79.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.507 ' CG2' ' O ' ' A' ' 67' ' ' THR . 1.9 t 30.59 38.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 66' ' ' TYR . 73.1 mt -50.91 97.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -82.79 -21.57 34.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -85.97 90.88 8.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.5 m -38.85 -49.32 1.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 75.5 m -39.71 -47.5 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.564 ' CE1' HD11 ' A' ' 77' ' ' ILE . 26.7 t-80 -55.4 -47.38 75.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -62.25 -33.23 74.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -71.03 -40.32 71.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 64.0 t -65.58 -60.63 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.564 HD11 ' CE1' ' A' ' 73' ' ' HIS . 72.2 mt -52.7 -58.83 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.4 mt -51.75 -66.62 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 85.9 m -43.7 -58.04 2.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -54.39 -41.46 69.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.471 HD11 ' CH2' ' A' ' 28' ' ' TRP . 5.9 tp -59.78 -37.77 80.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.472 ' CD ' ' C ' ' A' ' 82' ' ' GLU . 5.3 tm-20 -58.38 -33.42 69.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -74.39 -66.3 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.47 HG11 ' NE1' ' A' ' 28' ' ' TRP . 15.4 m -44.31 -46.87 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.41 ' N ' HG21 ' A' ' 84' ' ' VAL . 5.0 ptm180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.534 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -67.03 -9.52 40.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.909 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.451 ' N ' HD11 ' A' ' 11' ' ' LEU . 95.9 mt -51.9 -56.77 12.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.3 m -54.93 -41.75 59.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -61.4 -61.8 2.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -69.51 120.84 15.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.11 137.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.52 ' HA ' ' CE2' ' A' ' 20' ' ' TRP . 74.3 t -69.45 -27.05 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.425 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -71.52 0.64 7.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -114.38 -3.68 13.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.52 ' CE2' ' HA ' ' A' ' 17' ' ' VAL . 40.7 m0 -65.42 166.44 10.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.6 p -119.59 164.3 16.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -44.0 -26.09 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -80.01 -60.63 2.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.15 -42.76 69.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.6 t -49.37 -49.75 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.2 t -68.66 -36.09 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 mt -58.93 -52.9 63.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.588 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 32.5 t90 -56.09 -41.84 75.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.566 HD21 ' CZ ' ' A' ' 43' ' ' PHE . 10.2 tp -74.59 -26.3 59.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -79.57 11.79 2.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -116.97 -24.56 7.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.456 ' HB3' ' CG1' ' A' ' 76' ' ' VAL . 7.5 mt -66.52 -26.03 66.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.8 165.77 32.24 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -24.14 30.12 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.62 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 10.2 p-90 -68.34 -15.15 63.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.433 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -56.83 -37.74 71.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 t -62.42 -13.16 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.3 mt -84.55 -12.49 54.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 40' ' ' ARG . 64.3 m-85 -118.67 -33.06 4.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.507 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 7.1 ptm180 -35.71 -51.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.507 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 51.4 m-20 -46.59 -44.24 17.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' TYR . 15.8 mtt85 -67.02 -33.9 76.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.566 ' CZ ' HD21 ' A' ' 29' ' ' LEU . 3.8 m-85 -64.59 -48.08 76.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 2.9 mm? -63.18 -54.88 30.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -53.91 -41.12 67.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.432 ' HG3' ' CE1' ' A' ' 66' ' ' TYR . 29.7 mm-40 -85.8 10.55 13.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 42.67 36.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.3 t -62.12 93.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -89.15 164.24 15.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.1 -61.08 1.78 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.453 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.52 -48.99 5.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.484 ' HA ' ' CG2' ' A' ' 55' ' ' THR . 16.6 tp -67.08 -37.65 84.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.98 -16.33 41.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.425 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 52.0 mt -90.42 -51.04 5.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.484 ' CG2' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -63.95 -25.3 68.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.448 HD22 ' CB ' ' A' ' 60' ' ' GLU . 33.5 mt -60.46 134.65 57.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 58' ' ' GLU . 39.4 p -122.95 166.28 15.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 57' ' ' THR . 7.2 tt0 -36.19 -42.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.4 mp0 -57.55 -71.25 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.448 ' CB ' HD22 ' A' ' 56' ' ' LEU . 6.0 mm-40 -37.79 -45.08 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.422 ' HB3' ' CD1' ' A' ' 68' ' ' ILE . 16.3 m-85 -61.99 -41.82 98.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.7 p -80.02 -7.75 59.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -98.23 148.01 24.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.481 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -60.15 162.35 10.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.56 0.695 . . . . 0.0 111.057 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 54.0 Cg_endo -69.7 -19.4 11.18 Favored 'Cis proline' 0 C--O 1.231 0.138 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.382 -0.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.454 ' O ' ' C ' ' A' ' 67' ' ' THR . 1.3 m-85 -56.72 -44.08 81.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 66' ' ' TYR . 14.7 t 33.24 38.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.571 HD11 ' CE1' ' A' ' 73' ' ' HIS . 95.9 mt -45.18 98.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.087 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -85.03 -12.09 53.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -98.32 86.88 3.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 72' ' ' SER . 62.0 m -38.45 -52.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 71' ' ' SER . 1.3 t -36.65 -44.49 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.62 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 12.4 t-160 -58.7 -52.95 63.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.3 mtm105 -56.32 -39.87 73.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -40.67 83.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 80.5 t -69.05 -48.6 68.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.538 ' CD1' ' NE2' ' A' ' 73' ' ' HIS . 93.6 mt -60.7 -66.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.6 mt -48.48 -61.57 1.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.8 m -43.65 -65.7 0.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -48.54 -44.25 36.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.588 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 3.3 mt -61.18 -31.73 71.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.82 -21.77 66.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -91.15 -59.34 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.429 ' CG2' ' HA ' ' A' ' 81' ' ' LEU . 18.8 m -47.62 -39.03 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.464 HD11 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -71.45 -1.22 12.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.888 0.375 . . . . 0.0 110.969 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.464 ' N ' HD11 ' A' ' 11' ' ' LEU . 17.3 mt -61.77 -55.95 24.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.9 m -62.87 -28.01 44.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -69.91 -59.44 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -74.71 122.19 22.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.31 137.38 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.494 ' HA ' ' CE2' ' A' ' 20' ' ' TRP . 55.8 t -65.28 -33.38 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.497 ' OD1' ' CG ' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -69.29 -1.02 7.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -110.76 -1.49 16.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.494 ' CE2' ' HA ' ' A' ' 17' ' ' VAL . 41.0 m0 -68.66 174.54 4.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 23' ' ' GLU . 20.7 p -125.55 161.15 27.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.462 ' CG2' ' HA ' ' A' ' 47' ' ' ARG . 1.6 m -40.97 -26.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' THR . 10.9 tt0 -78.82 -63.51 1.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -50.02 -47.23 53.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 50' ' ' GLY . 85.6 t -44.67 -48.43 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.5 t -71.92 -35.11 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 mt -60.26 -51.94 67.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.594 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 25.2 t90 -56.51 -41.31 76.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.0 tp -73.2 -26.68 61.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -76.58 6.71 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -109.79 -29.79 8.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.46 ' HB3' ' CG1' ' A' ' 76' ' ' VAL . 5.7 mt -61.92 -27.36 68.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.01 165.13 31.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -25.28 28.74 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.27 . . . . 0.0 112.347 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.562 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.9 p-90 -67.31 -16.85 64.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.454 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -56.18 -31.04 63.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.8 t -68.26 -10.41 54.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.9 mt -86.71 -14.87 41.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.402 ' O ' ' N ' ' A' ' 42' ' ' ARG . 36.5 m-85 -116.95 -24.11 7.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 11.6 ptt85 -39.27 -45.73 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.425 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 7.6 t0 -51.23 -42.03 60.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 39' ' ' TYR . 71.1 mtt-85 -65.94 -29.94 70.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -72.85 -48.21 39.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.403 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 3.1 mm? -66.49 -54.52 23.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -51.55 -45.87 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -87.28 8.94 21.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.462 ' HA ' ' CG2' ' A' ' 22' ' ' THR . 0.0 OUTLIER 39.43 45.73 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 43.5 t -67.14 95.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -78.49 157.18 28.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.465 ' N ' HG23 ' A' ' 25' ' ' VAL . . . -38.59 -58.55 1.74 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.471 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.497 ' CG ' ' OD1' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -45.44 -53.21 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.332 . . . . 0.0 110.84 -179.812 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 23.6 tp -58.07 -38.0 75.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.3 tp -59.45 -38.08 79.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 45.9 mt -65.88 -53.28 41.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.1 p -54.44 -41.35 69.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.449 HD22 ' CB ' ' A' ' 60' ' ' GLU . 72.1 mt -51.61 140.19 19.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 58' ' ' GLU . 37.3 p -127.38 166.06 18.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' THR . 17.6 tt0 -35.8 -37.02 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -66.41 -73.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.449 ' CB ' HD22 ' A' ' 56' ' ' LEU . 48.4 mm-40 -36.44 -41.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.554 ' CE2' HD22 ' A' ' 78' ' ' LEU . 35.0 m-85 -61.59 -46.28 90.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.9 p -77.6 -6.45 53.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -99.41 148.72 23.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.495 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -59.23 160.85 11.09 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.603 0.716 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.2 Cg_endo -69.78 -23.76 8.92 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.343 -0.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.508 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.4 m-85 -52.4 -42.91 64.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.526 ' CG2' ' O ' ' A' ' 67' ' ' THR . 1.7 t 30.08 38.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.179 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 66' ' ' TYR . 37.4 mt -48.03 94.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -83.14 40.26 0.69 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -147.63 106.25 3.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 74' ' ' ARG . 32.1 m -54.84 -63.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 71' ' ' SER . 34.9 m -34.6 -41.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.566 ' CE1' ' CD1' ' A' ' 77' ' ' ILE . 53.9 t-80 -61.23 -50.6 72.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' SER . 9.7 mtm105 -61.67 -42.55 99.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.42 ' HD3' ' C ' ' A' ' 75' ' ' ARG . 4.2 tmt_? -55.71 -41.12 73.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 85.4 t -66.24 -49.2 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.566 ' CD1' ' CE1' ' A' ' 73' ' ' HIS . 91.8 mt -62.25 -62.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.554 HD22 ' CE2' ' A' ' 61' ' ' PHE . 4.4 mm? -50.8 -61.31 2.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.9 m -45.2 -67.5 0.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.171 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -46.55 -51.06 16.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.594 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 4.8 mt -53.52 -40.69 65.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -61.53 -25.0 67.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -84.01 -62.02 1.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.0 m -45.3 -46.09 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.538 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -67.35 -12.48 60.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.936 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.562 HD21 ' CZ2' ' A' ' 20' ' ' TRP . 18.6 mt -49.77 -59.85 3.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.6 m -55.81 -32.1 31.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -65.86 -48.06 72.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -87.93 142.93 27.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.588 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -56.64 147.09 23.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.485 ' HA ' ' CE2' ' A' ' 20' ' ' TRP . 83.2 t -76.66 -32.25 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.465 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -69.56 -1.35 8.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -114.65 -3.05 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.588 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 45.3 m0 -63.85 170.76 3.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.1 p -120.72 159.34 25.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.5 m -41.11 -28.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -77.72 -59.79 2.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -53.75 -42.48 68.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.467 ' CG2' ' N ' ' A' ' 50' ' ' GLY . 43.2 t -49.03 -48.79 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.3 t -70.01 -36.37 68.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.34 -51.64 68.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.588 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 31.9 t90 -57.26 -43.23 82.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.471 HD23 ' CE1' ' A' ' 43' ' ' PHE . 11.0 tp -73.17 -28.03 61.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -77.27 8.2 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -112.42 -27.52 8.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mt -64.08 -29.39 70.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.83 165.4 32.74 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -22.8 31.65 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.648 2.232 . . . . 0.0 112.372 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.565 ' CD2' ' CD2' ' A' ' 73' ' ' HIS . 17.5 p-90 -66.78 -17.09 64.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.09 -33.37 67.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.9 t -65.35 -8.92 20.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.5 mt -86.75 -16.24 36.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 40' ' ' ARG . 56.4 m-85 -117.8 -30.41 5.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 10.9 ptm180 -34.62 -50.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.464 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 15.3 m-20 -46.94 -47.08 21.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 39' ' ' TYR . 18.8 mtt-85 -64.19 -38.41 90.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CE1' HD23 ' A' ' 29' ' ' LEU . 57.0 m-85 -62.01 -44.31 96.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 3.0 mm? -70.63 -56.05 7.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -51.88 -47.96 64.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -79.49 6.51 10.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.5 mmm-85 44.51 36.12 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.1 t -66.37 98.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -88.14 172.4 9.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.467 ' N ' ' CG2' ' A' ' 25' ' ' VAL . . . -49.4 -60.35 6.36 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.558 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.33 -48.55 5.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.5 tp -71.29 -31.74 67.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.463 ' CD2' HD11 ' A' ' 81' ' ' LEU . 2.1 tt -65.08 -35.74 82.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 30.5 mt -68.68 -52.85 26.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 50.9 p -55.68 -46.1 77.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.8 mt -42.24 145.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' GLU . 74.3 p -130.37 162.21 29.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' THR . 23.4 tt0 -34.45 -58.17 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.1 tt0 -43.38 -64.49 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -45.87 -42.51 12.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -65.56 -28.08 68.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 59' ' ' GLU . 30.7 t -84.92 -6.11 59.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -106.45 148.2 28.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.461 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -59.67 164.81 5.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.597 0.713 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 54.2 Cg_endo -69.7 -16.8 12.05 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.391 -0.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 68' ' ' ILE . 0.6 OUTLIER -61.04 -44.37 97.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.952 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.495 ' C ' ' O ' ' A' ' 66' ' ' TYR . 2.4 t 29.31 40.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.165 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 66' ' ' TYR . 56.3 mt -42.08 93.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' THR . 20.5 mt-10 -82.98 37.33 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -150.5 105.75 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.1 t -55.24 -48.6 73.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.7 t -40.47 -52.56 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.565 ' CD2' ' CD2' ' A' ' 35' ' ' TRP . 36.1 m170 -55.68 -56.7 17.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 46.9 mtm-85 -49.73 -40.76 41.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -65.19 -41.99 94.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.3 t -67.38 -46.5 83.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 85.1 mt -65.42 -49.12 80.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.6 mt -66.05 -52.36 49.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.9 m -54.54 -55.35 30.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -55.95 -43.52 77.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.588 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 1.3 mt -60.78 -35.95 77.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -62.72 -23.24 67.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.0 mtt180 -88.07 -59.76 2.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.469 ' CG2' ' HA ' ' A' ' 81' ' ' LEU . 13.2 m -44.56 -42.32 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.545 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -50.14 -18.03 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.465 ' N ' HD13 ' A' ' 11' ' ' LEU . 18.8 mt -43.24 -59.83 1.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.404 HG21 ' N ' ' A' ' 14' ' ' HIS . 30.4 m -59.21 -39.03 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.404 ' N ' HG21 ' A' ' 13' ' ' VAL . 11.5 t-80 -60.27 -68.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.8 tttt -66.64 119.86 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.455 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -42.3 148.32 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.48 ' HA ' ' CD1' ' A' ' 20' ' ' TRP . 92.1 t -73.17 -32.29 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.416 ' CA ' HD13 ' A' ' 54' ' ' LEU . 3.3 p-10 -66.64 -3.57 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -112.73 0.88 15.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.48 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 43.7 m0 -69.49 164.49 23.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 23' ' ' GLU . 21.7 p -116.6 158.04 24.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -38.75 -26.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 21' ' ' THR . 7.0 tt0 -79.4 -62.89 1.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -54.11 -39.39 66.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.432 ' CG2' ' N ' ' A' ' 50' ' ' GLY . 54.3 t -53.75 -48.48 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.3 t -72.43 -31.71 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.8 mt -63.6 -53.28 54.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.47 ' NE1' HG11 ' A' ' 84' ' ' VAL . 18.6 t90 -57.16 -39.67 75.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.558 HD23 ' CZ ' ' A' ' 43' ' ' PHE . 8.5 tp -75.11 -24.85 58.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -79.81 12.28 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -116.34 -28.45 6.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.468 ' HB3' ' CG1' ' A' ' 76' ' ' VAL . 4.5 mt -61.08 -27.55 68.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.93 165.42 32.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.533 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -25.63 28.52 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.698 2.266 . . . . 0.0 112.359 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.53 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.1 p-90 -66.17 -17.49 64.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.479 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -53.91 -38.71 65.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.7 t -62.3 -9.94 9.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 mt -88.98 -12.65 40.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -117.57 -25.6 6.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.427 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 11.8 ptt85 -40.18 -45.64 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 4.2 m-20 -51.16 -44.44 61.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 -67.83 -29.39 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.558 ' CZ ' HD23 ' A' ' 29' ' ' LEU . 7.2 m-85 -72.89 -49.21 31.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 44' ' ' LEU . 3.7 mm? -66.11 -54.38 26.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -51.38 -48.59 62.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -81.01 10.34 5.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.7 mmt85 44.53 34.29 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.459 ' CG1' HD12 ' A' ' 52' ' ' LEU . 59.0 t -55.87 101.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' GLY . 7.2 p30 -92.98 159.03 15.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.432 ' N ' ' CG2' ' A' ' 25' ' ' VAL . . . -36.48 -63.82 0.66 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -44.2 -45.83 8.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.459 HD12 ' CG1' ' A' ' 48' ' ' VAL . 3.2 tm? -64.79 -49.17 71.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 tt -51.89 -38.72 57.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.416 HD13 ' CA ' ' A' ' 18' ' ' ASP . 17.3 mt -67.68 -54.46 19.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.6 p -50.13 -30.32 10.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.47 ' CB ' ' CZ ' ' A' ' 61' ' ' PHE . 75.3 mt -63.11 132.89 53.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.1 p -116.71 168.28 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -48.19 -19.62 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.9 -60.82 1.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -51.83 -28.65 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.47 ' CZ ' ' CB ' ' A' ' 56' ' ' LEU . 27.1 m-85 -69.39 -27.19 65.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.9 t -88.0 2.7 51.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -101.4 147.15 26.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.53 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -61.19 154.77 60.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.557 0.694 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.9 Cg_endo -69.77 -31.09 4.77 Favored 'Cis proline' 0 C--O 1.231 0.166 0 C-N-CA 122.644 -1.815 . . . . 0.0 112.341 0.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.8 m-85 -39.62 -47.25 1.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 69' ' ' GLU . 12.7 t 33.31 34.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 66' ' ' TYR . 78.2 mt -50.26 87.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 67' ' ' THR . 10.3 mt-10 -78.77 -24.98 44.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -87.19 92.46 9.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 72' ' ' SER . 23.2 t -38.5 -44.92 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 71' ' ' SER . 22.9 t -34.93 -48.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.582 ' CE1' ' CD1' ' A' ' 77' ' ' ILE . 9.5 t-160 -55.64 -57.55 11.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -51.92 -48.31 64.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -53.42 -45.44 69.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 45.1 t -68.79 -59.63 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.582 ' CD1' ' CE1' ' A' ' 73' ' ' HIS . 60.7 mt -49.01 -64.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 79' ' ' THR . 11.1 mp -49.45 -70.94 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' LEU . 94.6 m -36.13 -62.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -54.97 -38.42 67.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.468 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 7.5 tp -64.17 -41.7 97.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -56.87 -30.87 64.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -78.61 -64.93 1.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.47 HG11 ' NE1' ' A' ' 28' ' ' TRP . 4.1 m -43.29 -44.91 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.556 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -62.19 -10.8 11.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.899 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.559 HD13 ' CZ2' ' A' ' 20' ' ' TRP . 4.3 mm? -57.68 -56.56 20.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.3 m -68.49 -16.44 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -85.88 -27.88 24.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -107.61 123.63 48.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.59 135.78 6.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.526 ' HA ' ' CD1' ' A' ' 20' ' ' TRP . 87.7 t -63.61 -33.39 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.433 ' OD1' ' CD ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -64.76 -5.39 5.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.433 ' CD ' ' OD1' ' A' ' 18' ' ' ASP . 3.8 mptp? -113.34 1.29 15.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.559 ' CZ2' HD13 ' A' ' 12' ' ' LEU . 44.6 m0 -67.76 160.94 27.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.6 p -108.97 156.94 19.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.4 m -40.17 -29.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.173 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -77.78 -59.13 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -51.95 -41.85 62.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 50' ' ' GLY . 35.8 t -51.75 -48.49 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.424 ' CG1' ' HB2' ' A' ' 40' ' ' ARG . 61.3 t -70.91 -37.27 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mt -59.37 -50.56 73.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 29.9 t90 -59.33 -41.92 90.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.4 tp -73.55 -28.49 61.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -77.83 6.73 6.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -109.89 -25.81 10.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mt -66.2 -28.52 68.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.2 165.5 32.06 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -23.32 30.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.711 2.274 . . . . 0.0 112.324 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.42 ' CD2' ' CD2' ' A' ' 73' ' ' HIS . 20.7 p-90 -67.3 -17.0 64.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.06 -26.99 65.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.418 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 8.3 t -70.42 -10.25 58.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.1 mt -85.41 -11.47 54.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 40' ' ' ARG . 60.5 m-85 -124.17 -31.58 3.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.488 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 6.4 ptm180 -36.3 -51.62 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.488 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 10.7 m-20 -46.26 -44.44 16.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 39' ' ' TYR . 15.1 mtp85 -60.94 -37.91 84.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -62.13 -57.94 9.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -55.24 -59.04 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 t -49.5 -53.47 23.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -78.24 4.24 13.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.8 mmm-85 44.86 43.32 6.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.3 t -74.03 92.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -77.6 174.94 10.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.45 ' N ' ' CG2' ' A' ' 25' ' ' VAL . . . -52.42 -57.55 13.36 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.2 -37.62 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 0.0 110.869 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.2 tp -81.73 -36.73 28.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.47 -32.65 71.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.3 mt -72.39 -50.28 27.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.5 p -54.47 -37.93 65.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.3 mt -56.12 132.87 51.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 58' ' ' GLU . 65.2 p -112.82 161.98 16.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.195 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 57' ' ' THR . 18.1 tt0 -34.66 -44.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 62' ' ' SER . 0.4 OUTLIER -60.48 -71.04 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' GLU . 24.7 mm-40 -37.54 -40.46 0.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -61.59 -42.42 98.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 59' ' ' GLU . 11.8 t -85.26 0.93 50.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -108.28 145.66 34.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.539 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -51.1 151.2 4.93 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.596 0.712 . . . . 0.0 111.094 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 54.2 Cg_endo -69.73 -42.81 0.69 Allowed 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.351 -0.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.498 ' O ' ' N ' ' A' ' 68' ' ' ILE . 2.4 m-85 -37.7 -43.15 0.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 67' ' ' THR . 1.8 t 30.66 37.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.131 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.498 ' N ' ' O ' ' A' ' 66' ' ' TYR . 68.5 mt -45.9 92.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 67' ' ' THR . 17.9 mt-10 -84.86 40.65 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.415 ' HB3' ' ND1' ' A' ' 73' ' ' HIS . 0.8 OUTLIER -148.45 107.73 3.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 72' ' ' SER . 59.7 m -56.07 -60.48 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 71' ' ' SER . 22.5 m -34.29 -45.5 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.843 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.42 ' CD2' ' CD2' ' A' ' 35' ' ' TRP . 45.8 m170 -59.92 -56.08 26.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 62' ' ' SER . 54.7 mtm-85 -52.43 -44.87 65.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.96 -57.8 10.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.7 t -54.8 -56.21 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 52.0 mt -51.23 -73.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -41.69 -61.67 1.04 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.5 m -44.86 -62.17 1.32 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -50.19 -41.7 49.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.458 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 5.2 tp -61.78 -40.38 94.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -60.15 -17.48 40.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 30.0 mtt-85 -93.33 -58.25 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 81' ' ' LEU . 6.8 m -53.55 -38.85 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.459 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -70.28 -3.69 18.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.914 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.454 ' N ' HD11 ' A' ' 11' ' ' LEU . 44.9 mt -72.61 -60.35 2.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.8 m -55.34 -43.67 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -57.12 -44.27 83.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -88.13 141.03 28.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.65 136.54 56.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.519 ' HA ' ' CE2' ' A' ' 20' ' ' TRP . 87.1 t -62.69 -32.06 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.74 -3.86 7.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -115.21 6.71 15.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.519 ' CE2' ' HA ' ' A' ' 17' ' ' VAL . 41.0 m0 -77.17 168.59 19.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' GLU . 13.0 p -121.05 156.76 31.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 m -38.16 -28.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' THR . 14.0 tt0 -76.6 -57.68 3.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.55 -40.38 82.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.7 t -50.98 -48.22 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.6 t -70.93 -33.33 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.8 mt -61.53 -53.23 59.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.458 ' CH2' HD12 ' A' ' 81' ' ' LEU . 24.8 t90 -56.39 -40.34 74.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.455 ' CD1' HG12 ' A' ' 77' ' ' ILE . 8.8 tp -74.86 -26.65 59.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.95 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -77.77 8.99 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -111.85 -28.48 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.455 ' HB3' ' CG1' ' A' ' 76' ' ' VAL . 5.0 mt -63.08 -27.1 69.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.74 164.72 30.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -23.33 31.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.619 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.6 p-90 -68.97 -15.89 63.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.977 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.435 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -56.48 -38.93 72.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.106 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.7 t -61.18 -13.68 19.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.2 mt -85.44 -10.44 56.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -118.31 -25.85 6.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.408 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 12.0 ptt180 -39.61 -42.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.833 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -47.84 -43.71 28.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.416 ' NH2' ' HB3' ' A' ' 66' ' ' TYR . 15.8 mtm180 -63.03 -46.85 85.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -58.71 -51.25 70.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.408 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 2.7 mm? -63.7 -56.76 13.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -53.06 -49.95 65.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -84.98 7.41 21.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 40.99 42.52 1.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.4 t -65.68 90.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -72.1 169.36 16.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.91 -53.96 27.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.31 -45.21 34.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.361 . . . . 0.0 110.847 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.6 tp -70.46 -33.22 71.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -43.68 94.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.8 mt -61.4 -54.11 47.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.3 p -49.5 -43.26 45.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.411 HD22 ' CB ' ' A' ' 60' ' ' GLU . 39.9 mt -50.15 147.83 3.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' GLU . 62.0 p -131.04 164.91 24.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -42.92 -23.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -82.18 -59.32 2.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.461 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 8.0 mm-40 -53.02 -29.92 32.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.473 ' CD2' HD13 ' A' ' 78' ' ' LEU . 42.1 m-85 -69.26 -32.25 71.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.02 10.73 20.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -111.34 151.2 28.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.531 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -61.77 154.34 67.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.561 0.696 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.3 Cg_endo -69.78 -30.48 5.12 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.369 0.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 68' ' ' ILE . 2.7 m-85 -40.07 -45.69 2.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 66' ' ' TYR . 13.3 t 33.67 34.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 66' ' ' TYR . 98.1 mt -46.45 92.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' THR . 13.9 mt-10 -85.77 26.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.462 ' ND2' ' HB2' ' A' ' 72' ' ' SER . 10.4 t30 -140.52 105.08 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 72' ' ' SER . 47.8 m -50.28 -53.33 29.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.462 ' HB2' ' ND2' ' A' ' 70' ' ' ASN . 39.0 m -34.55 -51.73 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.619 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 23.2 t-80 -51.39 -53.27 38.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 86.4 mtm-85 -60.44 -51.21 70.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.408 ' HD3' ' C ' ' A' ' 75' ' ' ARG . 3.9 tmt_? -49.21 -40.09 32.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.455 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 55.0 t -71.07 -68.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.585 ' CD1' ' CE1' ' A' ' 73' ' ' HIS . 81.4 mt -43.57 -59.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.473 HD13 ' CD2' ' A' ' 61' ' ' PHE . 9.1 mp -52.79 -69.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.0 m -38.37 -52.85 1.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -63.99 -36.62 84.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.458 HD12 ' CH2' ' A' ' 28' ' ' TRP . 8.3 tp -61.72 -45.89 91.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -53.65 -36.03 61.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.0 mtp85 -71.45 -65.15 0.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.81 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.457 HG12 ' NE1' ' A' ' 28' ' ' TRP . 12.3 m -43.94 -46.38 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.551 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -54.04 -21.15 7.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.955 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.443 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 20.9 mt -40.81 -58.2 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.1 m -57.75 -46.15 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -51.99 -47.22 65.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -87.05 128.37 35.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.2 135.21 17.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.562 ' HA ' ' CD1' ' A' ' 20' ' ' TRP . 60.2 t -67.58 -28.66 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.448 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 3.2 p-10 -69.77 -1.52 9.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -115.16 -2.27 12.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.562 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 43.8 m0 -63.07 165.14 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 23' ' ' GLU . 19.7 p -119.18 155.37 31.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' THR . 7.2 m -37.04 -30.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 21' ' ' THR . 18.5 tt0 -75.85 -57.76 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -58.48 -40.08 81.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.9 t -52.06 -50.77 33.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.424 ' CG1' ' HB2' ' A' ' 40' ' ' ARG . 88.6 t -69.77 -34.19 59.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 mt -60.48 -51.49 69.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.585 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 21.9 t90 -56.18 -40.23 73.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.3 tp -73.23 -24.95 60.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -78.43 8.64 4.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -112.35 -24.23 9.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.462 ' HB3' ' CG1' ' A' ' 76' ' ' VAL . 5.0 mt -68.11 -28.12 67.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.17 162.88 28.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -18.56 37.02 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.332 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.642 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.0 p-90 -73.74 -13.16 60.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.92 -39.57 74.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.0 t -62.45 -10.29 11.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.2 mt -85.81 -13.63 47.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.449 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 13.5 m-85 -120.9 -27.77 4.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.441 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 7.3 ptm180 -39.52 -33.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.31 -45.39 80.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.422 ' NH1' ' HA ' ' A' ' 66' ' ' TYR . 14.4 mtm105 -66.87 -29.72 69.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -71.35 -51.88 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.441 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 2.9 mm? -62.88 -55.83 22.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -50.51 -48.83 56.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 47' ' ' ARG . 78.6 mm-40 -81.84 15.55 2.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 46' ' ' GLU . 29.1 mmm-85 34.99 43.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.1 t -68.34 106.13 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -93.23 170.97 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -50.71 -59.88 7.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.516 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -44.38 -35.3 2.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 46.1 tp -81.13 -33.52 33.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.9 tp -63.94 -46.99 82.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.448 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 33.7 mt -58.27 -48.36 80.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.6 p -55.45 -46.35 76.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.497 HD12 ' CE1' ' A' ' 61' ' ' PHE . 65.4 mt -49.96 147.54 3.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.41 ' C ' ' N ' ' A' ' 59' ' ' GLU . 46.3 p -130.38 169.12 15.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -45.3 -21.43 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 57' ' ' THR . 0.5 OUTLIER -87.07 -63.51 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -42.35 -41.79 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.497 ' CE1' HD12 ' A' ' 56' ' ' LEU . 56.3 m-85 -60.54 -39.3 87.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.3 p -79.94 11.36 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -115.12 148.14 39.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.522 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -58.83 154.68 35.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.568 0.699 . . . . 0.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.5 Cg_endo -69.78 -29.06 5.92 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.369 0.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.5 m-85 -42.55 -49.62 5.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 66' ' ' TYR . 13.7 t 33.18 36.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 66' ' ' TYR . 18.5 mt -46.67 91.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' THR . 15.4 mt-10 -80.28 43.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -155.57 105.32 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 74' ' ' ARG . 62.6 m -56.12 -57.94 10.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 71' ' ' SER . 6.4 m -37.1 -40.91 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.642 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 55.6 t-80 -63.8 -42.79 97.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 71' ' ' SER . 37.1 mtm180 -67.87 -41.2 83.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -43.98 82.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 96.3 t -65.46 -42.8 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.567 HD11 ' CE1' ' A' ' 73' ' ' HIS . 56.3 mt -68.26 -62.82 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.424 HD22 ' CD2' ' A' ' 61' ' ' PHE . 3.9 mm? -50.93 -60.44 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.7 m -46.09 -59.64 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -54.75 -40.84 69.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.585 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 4.4 mt -65.81 -32.61 74.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -64.27 -26.02 68.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 52.4 mtt-85 -86.54 -58.26 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 81' ' ' LEU . 28.6 m -47.18 -40.11 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.546 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -61.25 -14.31 25.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.567 HD11 ' CZ2' ' A' ' 20' ' ' TRP . 4.3 mm? -39.83 -56.03 1.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.6 m -63.51 -47.36 91.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -47.49 -36.32 10.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -103.72 126.02 50.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.599 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -46.12 150.88 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.456 ' CG2' HG22 ' A' ' 84' ' ' VAL . 92.0 t -75.96 -32.18 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.086 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.437 ' CA ' HD13 ' A' ' 54' ' ' LEU . 2.1 p-10 -70.06 -1.02 8.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -114.43 -2.87 13.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 43.8 m0 -64.86 161.16 18.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' GLU . 22.3 p -110.4 158.11 18.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.151 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.4 m -41.86 -23.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.142 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.7 tt0 -82.03 -55.81 4.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -56.28 -45.69 80.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.457 HG22 ' N ' ' A' ' 50' ' ' GLY . 95.1 t -46.37 -47.7 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.8 t -71.05 -34.43 55.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.38 -54.47 39.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.568 ' CH2' HD13 ' A' ' 81' ' ' LEU . 27.5 t90 -56.83 -40.6 76.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.528 HD23 ' CZ ' ' A' ' 43' ' ' PHE . 10.9 tp -74.77 -27.78 60.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -77.42 6.63 6.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -110.14 -26.56 9.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.409 ' HB3' ' CG1' ' A' ' 76' ' ' VAL . 5.2 mt -65.01 -28.97 69.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.0 164.59 31.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -22.49 32.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 19.9 p-90 -68.21 -16.47 63.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.25 -32.57 68.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.073 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -65.15 -12.52 51.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 mt -86.48 -12.75 48.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -118.34 -19.18 9.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.447 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 12.7 ptt85 -47.67 -46.3 29.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.447 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 2.4 t70 -48.27 -42.33 30.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.6 mtt-85 -69.82 -37.98 76.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.528 ' CZ ' HD23 ' A' ' 29' ' ' LEU . 5.0 m-85 -62.03 -44.33 96.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.425 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 3.1 mm? -74.1 -55.26 6.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -50.65 -51.7 46.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -80.41 12.3 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 43.9 35.34 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.826 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.9 t -59.74 102.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.0 p30 -93.66 163.53 13.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.457 ' N ' HG22 ' A' ' 25' ' ' VAL . . . -40.87 -62.85 1.61 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -37.32 -51.6 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 110.862 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 42.9 tp -66.87 -39.67 87.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.516 HD22 ' CZ3' ' A' ' 28' ' ' TRP . 16.6 tp -56.16 -37.94 70.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.437 HD13 ' CA ' ' A' ' 18' ' ' ASP . 48.2 mt -71.69 -50.3 31.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.8 p -54.66 -44.4 73.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.4 mt -44.24 142.81 1.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' GLU . 72.7 p -129.0 167.16 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' THR . 1.2 tm-20 -35.41 -46.02 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 62' ' ' SER . 4.7 mt-10 -62.56 -72.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' GLU . 32.6 mt-10 -35.91 -46.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -61.37 -42.41 98.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 59' ' ' GLU . 29.8 t -79.54 -4.8 53.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -99.08 148.28 24.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.534 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -56.72 153.69 20.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.59 0.709 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.9 Cg_endo -69.74 -40.35 1.12 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.376 -0.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.501 ' O ' ' N ' ' A' ' 68' ' ' ILE . 0.6 OUTLIER -37.09 -45.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 66' ' ' TYR . 10.8 t 35.79 30.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.501 ' N ' ' O ' ' A' ' 66' ' ' TYR . 91.9 mt -41.45 107.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -100.3 -23.75 14.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 71' ' ' SER . 10.2 m-20 -78.78 84.85 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 72' ' ' SER . 15.3 t -34.34 -57.3 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 71' ' ' SER . 36.3 m -34.59 -45.88 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.86 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -58.76 -55.97 28.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 74' ' ' ARG . 14.2 mtm105 -48.9 -45.33 41.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -44.7 95.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 58.7 t -63.29 -53.0 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.149 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.4 mt -58.24 -58.81 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.9 mt -54.74 -57.34 11.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.5 m -51.88 -54.54 28.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -56.66 -43.71 80.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.568 HD13 ' CH2' ' A' ' 28' ' ' TRP . 9.1 tp -59.63 -42.41 92.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -56.04 -21.89 24.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -86.73 -66.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.456 HG22 ' CG2' ' A' ' 17' ' ' VAL . 20.4 m -47.14 -30.96 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.401 ' N ' HG21 ' A' ' 84' ' ' VAL . 8.0 ptm180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.482 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -74.65 -4.82 39.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 110.923 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.461 ' N ' HD11 ' A' ' 11' ' ' LEU . 21.4 mt -58.21 -44.74 88.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.7 m -70.66 -16.94 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -81.88 -39.41 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -95.33 126.77 40.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.491 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -43.49 139.7 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.506 ' HA ' ' CE2' ' A' ' 20' ' ' TRP . 68.2 t -71.4 -33.07 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.463 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -70.35 -0.36 8.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 5.1 mptp? -113.58 -3.92 13.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.506 ' CE2' ' HA ' ' A' ' 17' ' ' VAL . 43.0 m0 -64.12 173.16 2.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' GLU . 24.6 p -124.45 155.99 37.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.5 m -39.72 -26.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 21' ' ' THR . 16.7 tt0 -78.66 -52.06 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -63.61 -40.37 96.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.3 t -49.93 -50.35 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.4 t -68.9 -32.94 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 mt -61.69 -51.99 66.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.593 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 25.6 t90 -57.74 -42.12 83.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.544 HD23 ' CE1' ' A' ' 43' ' ' PHE . 19.7 tp -73.18 -26.43 61.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.947 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -77.12 7.95 4.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -110.88 -30.02 7.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.465 ' HB3' ' CG1' ' A' ' 76' ' ' VAL . 5.7 mt -61.16 -26.63 67.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.04 163.8 28.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -21.04 33.94 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.623 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 12.0 p-90 -71.69 -14.54 62.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.411 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -59.24 -26.8 65.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 t -70.46 -11.6 61.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.2 mt -87.32 -10.89 51.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.505 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 76.0 m-85 -117.62 -27.72 6.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.439 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 13.8 ptt85 -37.54 -47.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.439 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 2.9 t70 -46.5 -44.55 17.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.425 ' CD ' ' HA ' ' A' ' 66' ' ' TYR . 45.3 mtt-85 -67.26 -28.04 67.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CE1' HD23 ' A' ' 29' ' ' LEU . 48.7 m-85 -74.56 -45.12 47.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.427 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 3.0 mm? -71.74 -54.45 10.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -50.67 -49.55 56.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -83.34 9.34 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 42.29 39.17 1.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.2 t -63.37 96.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -85.87 168.33 14.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.41 -57.77 7.07 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -43.85 -42.82 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 110.846 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.5 tp -72.79 -40.42 65.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.0 tp -53.93 -41.23 67.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 55.0 mt -67.36 -49.22 64.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.3 p -58.74 -22.15 57.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.427 HD12 ' CE1' ' A' ' 61' ' ' PHE . 55.3 mt -72.42 133.26 44.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.6 p -110.82 169.55 8.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -52.57 -16.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.51 -57.79 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -46.86 -41.77 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.427 ' CE1' HD12 ' A' ' 56' ' ' LEU . 47.2 m-85 -60.01 -32.01 70.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.5 t -87.21 14.75 7.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -114.56 149.08 37.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.536 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -58.95 152.29 50.71 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.581 0.705 . . . . 0.0 111.097 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 54.4 Cg_endo -69.7 -31.62 4.42 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.397 -0.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.469 ' O ' ' N ' ' A' ' 68' ' ' ILE . 2.5 m-85 -38.28 -45.28 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 66' ' ' TYR . 13.3 t 33.29 35.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.469 ' N ' ' O ' ' A' ' 66' ' ' TYR . 53.0 mt -47.23 91.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.174 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 67' ' ' THR . 18.8 mt-10 -85.55 21.48 1.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -132.42 105.13 7.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 74' ' ' ARG . 1.8 m -53.81 -59.88 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 71' ' ' SER . 52.0 m -36.06 -43.21 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.623 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 57.1 t-80 -61.22 -45.54 94.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 71' ' ' SER . 46.4 mtm180 -62.91 -44.72 95.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -46.71 75.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 60.5 t -59.33 -47.27 91.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.521 HD12 ' CE1' ' A' ' 73' ' ' HIS . 76.5 mt -66.1 -61.59 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.56 -60.45 3.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 75.5 m -46.1 -61.47 1.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -54.22 -39.37 66.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.593 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 5.2 mt -64.7 -35.65 81.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -64.07 -28.9 70.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -81.9 -55.66 4.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 81' ' ' LEU . 22.7 m -53.22 -36.9 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.949 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.453 HD13 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -87.26 1.88 51.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.888 0.375 . . . . 0.0 110.949 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.518 HD12 ' CE2' ' A' ' 20' ' ' TRP . 4.4 mm? -62.52 -61.81 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 14' ' ' HIS . 21.1 m -47.42 -32.86 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.466 ' N ' HG23 ' A' ' 13' ' ' VAL . 5.2 t60 -78.15 -65.28 1.0 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -60.66 123.19 16.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.418 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -44.8 139.78 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.524 ' HA ' ' CD1' ' A' ' 20' ' ' TRP . 87.1 t -69.83 -32.04 50.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.446 ' OD2' ' NZ ' ' A' ' 19' ' ' LYS . 5.1 p-10 -66.79 -3.87 7.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.446 ' NZ ' ' OD2' ' A' ' 18' ' ' ASP . 12.1 mptt -113.04 -2.33 14.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.524 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 44.3 m0 -64.86 163.37 14.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' GLU . 24.1 p -119.65 154.71 33.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 21' ' ' THR . 1.4 m -37.25 -28.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 21' ' ' THR . 7.4 tt0 -76.92 -54.55 6.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.85 -41.84 98.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.8 t -47.88 -51.68 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.185 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.416 ' CG1' ' HB2' ' A' ' 40' ' ' ARG . 99.3 t -67.96 -34.67 68.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.03 -54.83 41.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.608 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 34.2 t90 -55.41 -42.57 74.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.534 HD21 ' CZ ' ' A' ' 43' ' ' PHE . 12.2 tp -73.1 -25.63 60.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -78.14 8.58 4.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -111.96 -30.45 7.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.46 ' HB3' ' CG1' ' A' ' 76' ' ' VAL . 6.6 mt -60.54 -29.48 69.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.45 165.27 32.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.458 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -25.55 28.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.631 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 9.7 p-90 -66.11 -17.47 64.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.492 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -52.96 -39.28 62.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.7 t -59.47 -11.81 5.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.6 mt -84.12 -18.71 35.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.467 ' CZ ' ' ND1' ' A' ' 73' ' ' HIS . 76.4 m-85 -113.19 -32.28 6.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.446 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 7.9 ptm180 -37.88 -46.64 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.446 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 31.3 m-20 -46.72 -44.28 18.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.8 mtt-85 -67.78 -37.3 81.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.534 ' CZ ' HD21 ' A' ' 29' ' ' LEU . 73.5 m-85 -62.16 -43.82 97.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -70.77 -56.25 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -51.79 -44.56 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' ARG . 76.7 mm-40 -88.02 16.01 6.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' GLU . 32.0 mmt180 34.37 41.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.1 t -65.96 95.31 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -82.07 168.42 17.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -50.55 -56.11 14.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -34.71 16.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.7 tp -80.92 -35.11 32.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.16 -42.03 98.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.82 -45.71 92.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.8 p -57.33 -42.93 82.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.155 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.1 mt -55.76 141.65 37.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.496 ' N ' ' OE2' ' A' ' 60' ' ' GLU . 30.6 p -124.01 -174.9 3.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.84 -18.2 54.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -82.71 -55.78 4.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.496 ' OE2' ' N ' ' A' ' 57' ' ' THR . 1.6 mp0 -50.36 -52.25 38.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.464 ' HB3' ' CD1' ' A' ' 68' ' ' ILE . 22.4 m-85 -58.32 -28.32 64.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.1 t -77.88 -31.89 51.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.3 ptt85 -94.03 164.95 12.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.485 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -61.93 162.32 17.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.541 0.686 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.7 Cg_endo -69.81 -44.77 0.47 Allowed 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.298 0.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.436 ' O ' ' CG2' ' A' ' 67' ' ' THR . 3.6 m-85 -41.2 -48.88 3.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 69' ' ' GLU . 10.9 t 44.76 29.13 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 61' ' ' PHE . 17.6 mt -34.14 94.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 67' ' ' THR . 26.8 mt-10 -85.95 43.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -154.98 106.28 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 72' ' ' SER . 66.0 m -57.93 -54.64 44.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 71' ' ' SER . 1.4 t -35.47 -50.9 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.631 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 13.8 t-160 -60.82 -47.25 87.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.435 ' NH1' ' O ' ' A' ' 68' ' ' ILE . 50.6 mtm-85 -57.43 -43.17 83.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.814 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -58.19 -39.0 77.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 60.0 t -66.97 -51.77 51.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.535 ' CD1' ' NE2' ' A' ' 73' ' ' HIS . 97.3 mt -59.25 -60.7 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.0 mt -53.8 -61.67 2.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.5 m -43.68 -62.45 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -54.83 -41.44 70.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.608 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 4.7 mt -57.76 -32.43 67.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -69.72 -26.12 64.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -79.3 -55.89 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.431 HG21 ' N ' ' A' ' 85' ' ' ARG . 15.9 m -55.46 -41.62 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.431 ' N ' HG21 ' A' ' 84' ' ' VAL . 7.3 ptm180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.546 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -63.92 -7.7 9.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.845 0.355 . . . . 0.0 110.921 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.465 ' N ' HD13 ' A' ' 11' ' ' LEU . 33.7 mt -55.32 -60.56 3.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.4 HG22 ' N ' ' A' ' 14' ' ' HIS . 21.3 m -54.39 -38.23 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.4 ' N ' HG22 ' A' ' 13' ' ' VAL . 24.0 t-80 -56.82 -57.59 11.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -77.02 128.63 34.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.28 140.12 7.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.457 ' HA ' ' CE2' ' A' ' 20' ' ' TRP . 91.1 t -66.44 -31.65 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.417 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -70.41 -0.16 7.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 4.5 mptp? -113.16 -2.41 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.457 ' CE2' ' HA ' ' A' ' 17' ' ' VAL . 40.7 m0 -67.68 168.9 10.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.6 p -122.21 166.23 14.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.454 ' CG2' ' HA ' ' A' ' 47' ' ' ARG . 1.1 m -48.1 -19.56 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -87.68 -55.24 3.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -60.05 -42.77 95.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.5 t -50.16 -51.58 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.2 t -68.24 -29.42 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.7 mt -65.67 -53.53 39.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -57.69 -38.44 75.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.502 HD23 ' CZ ' ' A' ' 43' ' ' PHE . 5.6 tp -75.62 -25.69 57.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -79.6 12.3 2.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -116.65 -23.65 8.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mt -66.49 -25.61 66.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.07 164.2 29.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -21.51 33.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.373 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.616 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 12.5 p-90 -71.32 -14.51 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.93 -38.78 73.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 t -60.79 -14.89 24.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.5 mt -83.15 -12.56 56.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.446 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 70.6 m-85 -119.16 -29.19 5.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' TYR . 7.8 ptm180 -38.42 -45.41 1.02 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -46.57 -48.26 19.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.1 mtt-85 -61.67 -40.88 96.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.502 ' CZ ' HD23 ' A' ' 29' ' ' LEU . 34.8 m-85 -59.48 -49.69 76.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.23 -56.07 13.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -51.97 -47.73 64.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -84.87 2.72 41.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.454 ' HA ' ' CG2' ' A' ' 22' ' ' THR . 0.0 OUTLIER 43.91 46.44 6.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.5 t -69.44 87.23 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -73.6 159.12 33.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.57 -56.11 3.05 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.458 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.85 -46.84 10.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.888 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.9 tp -72.12 -31.26 65.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.79 -44.06 97.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 77.3 mt -67.77 -46.63 71.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.2 p -55.45 -35.85 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.465 HD12 ' CZ ' ' A' ' 61' ' ' PHE . 28.4 mt -53.32 152.94 4.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.0 p -126.6 166.93 16.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -55.15 -20.37 10.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.59 -63.89 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -43.15 -45.41 5.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.465 ' CZ ' HD12 ' A' ' 56' ' ' LEU . 17.7 m-85 -55.01 -35.52 64.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -78.3 -26.92 47.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -82.49 168.63 17.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.497 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -73.32 159.75 84.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.717 . . . . 0.0 111.108 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.8 Cg_endo -69.69 -44.15 0.54 Allowed 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.355 -0.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.5 m-85 -32.06 -39.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.528 ' CG2' ' O ' ' A' ' 67' ' ' THR . 1.3 t 32.56 34.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.513 ' N ' ' O ' ' A' ' 66' ' ' TYR . 59.2 mt -51.14 93.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.085 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -78.59 -22.41 47.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -87.49 88.08 7.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 74' ' ' ARG . 55.1 m -40.16 -53.56 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 71' ' ' SER . 4.1 m -34.37 -42.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.646 ' CE1' ' CD1' ' A' ' 77' ' ' ILE . 57.3 t-80 -59.95 -47.67 84.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 71' ' ' SER . 16.3 mtm105 -61.05 -41.3 96.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.419 ' HD3' ' C ' ' A' ' 75' ' ' ARG . 3.6 tmt_? -58.95 -44.84 91.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.9 t -62.69 -49.59 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.646 ' CD1' ' CE1' ' A' ' 73' ' ' HIS . 57.6 mt -62.11 -62.06 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.0 mt -51.56 -54.64 25.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.6 m -55.65 -52.75 62.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -58.44 -36.63 73.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.461 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 4.2 tp -69.25 -33.73 73.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -63.12 -22.88 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -87.15 -55.27 3.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' A' ' 81' ' ' LEU . 13.8 m -55.45 -38.28 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.494 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -78.51 -4.19 47.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.905 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.71 -57.58 12.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.453 HG21 ' N ' ' A' ' 14' ' ' HIS . 36.0 m -57.18 -37.77 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.453 ' N ' HG21 ' A' ' 13' ' ' VAL . 59.1 t-80 -62.89 -54.91 31.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -79.71 126.28 30.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.89 142.11 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.041 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.496 ' HA ' ' CE2' ' A' ' 20' ' ' TRP . 86.6 t -68.28 -31.64 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.439 ' OD1' ' CD ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -69.13 -1.3 7.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.439 ' CD ' ' OD1' ' A' ' 18' ' ' ASP . 3.9 mptp? -112.59 -5.06 14.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.496 ' CE2' ' HA ' ' A' ' 17' ' ' VAL . 41.2 m0 -64.54 166.55 8.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' GLU . 22.9 p -119.33 157.94 27.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -39.88 -25.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.1 tt0 -79.8 -57.84 3.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -58.78 -40.44 84.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 50' ' ' GLY . 55.5 t -51.37 -48.58 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.5 t -71.06 -32.94 49.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.8 mt -62.27 -53.85 49.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.467 ' NE1' HG11 ' A' ' 84' ' ' VAL . 24.1 t90 -56.5 -40.44 74.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.446 HD21 ' CE1' ' A' ' 43' ' ' PHE . 8.2 tp -74.64 -27.28 60.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -77.77 8.46 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -111.72 -27.94 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 mt -62.43 -25.14 67.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.92 165.38 30.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -23.84 30.67 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.337 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.634 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 13.2 p-90 -69.66 -15.44 63.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.414 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -55.43 -31.25 61.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.079 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 t -68.06 -9.72 48.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.9 mt -85.14 -11.4 55.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.641 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 74.5 m-85 -120.14 -31.54 4.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.434 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 6.8 ptm180 -37.02 -46.94 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.796 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.418 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -45.31 -46.56 12.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.423 ' NH1' ' HB3' ' A' ' 42' ' ' ARG . 1.7 mtp-105 -67.45 -39.14 85.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.446 ' CE1' HD21 ' A' ' 29' ' ' LEU . 35.0 m-85 -58.94 -42.97 91.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.434 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 3.2 mm? -74.11 -55.07 6.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -52.33 -45.06 65.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 47' ' ' ARG . 6.8 mm-40 -87.09 16.14 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 46' ' ' GLU . 11.1 mmt85 35.54 39.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 43.8 t -64.39 103.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -88.47 165.41 14.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.45 ' N ' ' CG2' ' A' ' 25' ' ' VAL . . . -48.12 -47.54 26.69 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.459 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.16 -39.89 66.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 0.0 110.815 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.3 tp -74.62 -37.28 62.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 tt -59.43 -37.45 78.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.5 mt -65.16 -51.81 58.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.9 p -51.54 -48.58 63.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.467 HD12 ' CE1' ' A' ' 61' ' ' PHE . 57.1 mt -44.77 139.25 3.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.957 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 66.2 p -122.77 -179.16 4.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -56.41 -17.96 9.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.5 tt0 -90.81 -64.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -40.26 -34.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 68' ' ' ILE . 14.8 m-85 -74.93 -37.38 62.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 59' ' ' GLU . 46.6 t -73.58 -25.29 60.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -102.16 165.15 11.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.503 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -58.8 159.98 11.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.515 0.674 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.5 Cg_endo -69.74 -46.27 0.37 Allowed 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.361 -0.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.419 ' HA ' ' NH1' ' A' ' 42' ' ' ARG . 2.7 m-85 -42.24 -43.16 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 69' ' ' GLU . 9.3 t 42.3 26.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.175 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 61' ' ' PHE . 52.3 mt -37.55 92.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 67' ' ' THR . 19.6 mt-10 -81.61 42.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -150.99 108.59 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 74' ' ' ARG . 74.8 m -57.98 -61.31 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 71' ' ' SER . 1.4 t -36.38 -45.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.641 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 57.9 t-80 -59.21 -47.58 84.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 71' ' ' SER . 71.0 mtm-85 -61.59 -44.39 97.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -55.87 -45.02 78.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.4 t -61.5 -48.22 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.552 ' CD1' ' CE1' ' A' ' 73' ' ' HIS . 76.7 mt -62.56 -60.19 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 23.7 mt -52.01 -62.99 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.1 m -45.04 -64.45 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -49.87 -45.63 50.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.461 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 7.6 tp -55.91 -41.13 74.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.17 -40.45 70.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.8 mtp85 -68.07 -63.42 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.467 HG11 ' NE1' ' A' ' 28' ' ' TRP . 5.8 m -45.26 -46.24 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.431 ' N ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -76.63 1.23 17.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.353 . . . . 0.0 110.919 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.2 mt -59.51 -55.57 32.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.9 m -56.71 -39.85 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -62.88 -57.09 12.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -71.71 123.11 21.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.55 134.42 19.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.063 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.507 ' HA ' ' CE2' ' A' ' 20' ' ' TRP . 81.7 t -59.12 -33.58 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.468 ' N ' HD11 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -67.02 -3.45 7.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 0.7 OUTLIER -112.99 -1.88 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.507 ' CE2' ' HA ' ' A' ' 17' ' ' VAL . 43.1 m0 -66.54 166.17 13.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 p -116.21 160.28 20.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -38.37 -34.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.88 -63.59 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -46.85 -42.92 18.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 53' ' ' LEU . 89.7 t -51.44 -47.93 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.139 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.46 ' CG2' HD21 ' A' ' 44' ' ' LEU . 97.9 t -70.82 -32.12 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.4 mt -62.45 -53.67 51.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.428 ' CH2' HD12 ' A' ' 81' ' ' LEU . 28.5 t90 -57.72 -40.86 80.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.477 ' CD2' ' CZ ' ' A' ' 43' ' ' PHE . 8.0 tp -74.9 -26.21 59.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -78.86 10.2 3.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.414 ' NE2' ' HA ' ' A' ' 28' ' ' TRP . 40.3 mt-30 -114.8 -28.31 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.465 ' HB3' ' CG1' ' A' ' 76' ' ' VAL . 7.1 mt -61.14 -24.06 66.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.68 166.32 32.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -25.08 29.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.71 2.273 . . . . 0.0 112.348 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.644 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 13.0 p-90 -68.17 -16.46 64.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 29' ' ' LEU . . . -60.28 -25.03 65.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.078 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.9 t -71.4 -14.01 62.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mt -85.53 -14.67 45.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.962 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 42' ' ' ARG . 20.1 m-85 -111.9 -28.95 7.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.452 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 14.2 ptt180 -34.99 -49.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.452 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 1.8 t70 -53.15 -44.23 67.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' TYR . 9.6 mtp85 -63.13 -31.2 72.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.477 ' CZ ' ' CD2' ' A' ' 29' ' ' LEU . 15.5 m-85 -70.4 -56.17 7.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.46 HD21 ' CG2' ' A' ' 26' ' ' VAL . 3.2 mm? -59.47 -55.29 36.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -50.56 -52.31 40.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -77.02 7.8 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 46.74 34.74 2.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.461 ' CG1' HD13 ' A' ' 52' ' ' LEU . 86.2 t -60.81 98.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 50' ' ' GLY . 24.2 p-10 -90.43 158.01 17.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.454 ' N ' HG22 ' A' ' 25' ' ' VAL . . . -34.14 -64.51 0.38 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -49.2 4.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.461 HD13 ' CG1' ' A' ' 48' ' ' VAL . 3.3 tm? -62.01 -49.36 76.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.465 ' CD1' HG11 ' A' ' 25' ' ' VAL . 1.2 tt -50.08 -42.47 50.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.468 HD11 ' N ' ' A' ' 18' ' ' ASP . 20.6 mt -62.37 -56.05 22.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.1 p -47.86 -34.99 9.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.451 HD11 ' CD1' ' A' ' 52' ' ' LEU . 55.7 mt -59.67 136.1 57.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.5 p -128.77 170.56 13.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -44.26 -26.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.75 -65.06 1.04 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -44.11 -50.6 8.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' A' ' 68' ' ' ILE . 23.5 m-85 -55.05 -33.82 63.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.4 t -72.59 -21.51 61.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 88.6 mtt-85 -98.56 162.42 13.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.843 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.486 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -65.3 161.43 50.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.615 0.722 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.5 Cg_endo -69.75 -44.78 0.47 Allowed 'Cis proline' 0 C--N 1.342 0.217 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.337 -0.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 68' ' ' ILE . 2.9 m-85 -39.09 -40.73 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.95 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' TYR . 8.6 t 37.05 28.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 66' ' ' TYR . 95.8 mt -41.25 107.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -100.4 -23.54 14.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 71' ' ' SER . 3.0 m-20 -77.84 94.58 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 70' ' ' ASN . 3.1 m -34.23 -56.9 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 71' ' ' SER . 73.8 m -36.54 -50.43 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.644 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 5.6 t-80 -53.03 -51.03 63.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -61.87 -49.58 75.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -55.94 -39.92 72.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 52.9 t -68.93 -62.79 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 84.6 mt -49.46 -60.9 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.1 mt -49.81 -64.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.5 m -45.41 -67.59 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -46.77 -44.12 18.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.428 HD12 ' CH2' ' A' ' 28' ' ' TRP . 12.8 tp -61.78 -31.92 72.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.411 ' HA ' ' NE ' ' A' ' 85' ' ' ARG . 6.3 tp10 -68.56 -16.23 63.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -94.58 -63.08 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.8 m -44.9 -33.29 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.076 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.411 ' NE ' ' HA ' ' A' ' 82' ' ' GLU . 10.3 ptp180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.514 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -65.43 -9.87 29.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.339 . . . . 0.0 110.919 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.9 mt -51.51 -54.64 25.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.8 m -60.07 -44.98 96.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -53.71 -42.63 68.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.42 ' HE2' ' C ' ' A' ' 19' ' ' LYS . 43.8 tttt -93.36 136.13 33.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.595 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -57.42 145.65 32.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.45 ' HA ' ' CE2' ' A' ' 20' ' ' TRP . 85.3 t -70.77 -33.82 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.162 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.418 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -68.55 -2.24 8.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.42 ' C ' ' HE2' ' A' ' 15' ' ' LYS . 1.9 mptp? -113.48 -2.89 13.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 41.4 m0 -66.47 173.34 3.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' GLU . 24.5 p -127.26 159.18 35.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.7 m -40.06 -25.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.3 tt0 -79.35 -58.83 3.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -59.66 -41.9 91.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.465 HG21 ' N ' ' A' ' 50' ' ' GLY . 94.7 t -50.31 -51.72 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 40' ' ' ARG . 91.8 t -68.75 -33.19 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.89 -53.91 49.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.564 ' CD1' HG11 ' A' ' 84' ' ' VAL . 24.5 t90 -56.39 -40.46 74.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.461 HD22 ' CE1' ' A' ' 43' ' ' PHE . 9.8 tp -75.03 -25.77 58.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -79.2 8.14 6.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -111.5 -29.51 7.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.426 ' HB3' ' CG1' ' A' ' 76' ' ' VAL . 5.6 mt -59.75 -25.51 64.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.77 165.02 29.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -21.96 32.49 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.618 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.6 p-90 -71.09 -14.56 62.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.417 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -55.67 -27.28 49.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.8 t -68.61 -9.77 51.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.3 mt -80.86 -23.51 39.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.769 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 49.3 m-85 -113.17 -36.49 5.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.472 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 7.8 ptm180 -33.98 -44.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.433 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 1.1 m-20 -49.98 -48.15 52.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' TYR . 1.7 mtp-105 -64.55 -38.32 90.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.461 ' CE1' HD22 ' A' ' 29' ' ' LEU . 61.7 m-85 -58.03 -42.59 85.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.466 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 3.0 mm? -72.43 -56.28 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -52.74 -46.03 67.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.82 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -82.59 9.15 10.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 43.32 35.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.466 ' CG1' HD22 ' A' ' 52' ' ' LEU . 89.9 t -62.63 103.53 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -90.16 173.63 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.465 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -48.19 -62.47 4.26 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.457 ' C ' ' HD2' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -37.21 -59.32 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.831 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.466 HD22 ' CG1' ' A' ' 48' ' ' VAL . 54.2 tp -55.75 -42.37 75.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.6 tp -57.33 -32.27 66.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.2 mt -76.33 -45.05 34.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.3 p -59.63 -46.15 89.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 61' ' ' PHE . 44.0 mt -45.78 130.17 9.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.4 p -106.88 172.88 6.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -56.89 -13.92 3.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -95.06 -58.07 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 28.6 mm-40 -46.02 -40.43 10.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 56' ' ' LEU . 11.5 m-85 -59.69 -34.38 72.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 74' ' ' ARG . 22.4 t -87.34 2.09 51.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -109.45 146.48 34.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.529 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -52.67 153.4 5.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.548 0.689 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.2 Cg_endo -69.81 -45.9 0.39 Allowed 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.306 0.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 68' ' ' ILE . 8.8 m-85 -35.2 -44.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 66' ' ' TYR . 13.2 t 32.39 37.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 66' ' ' TYR . 70.8 mt -45.47 92.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' THR . 17.8 mt-10 -81.21 41.97 0.63 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -152.51 107.47 3.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 74' ' ' ARG . 60.3 m -59.95 -58.73 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 71' ' ' SER . 44.9 m -35.58 -38.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.769 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 56.4 t-80 -68.33 -47.19 68.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 71' ' ' SER . 43.0 mtm180 -59.52 -41.82 90.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -49.74 75.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.426 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 59.5 t -57.02 -46.03 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.568 ' CD1' ' CE1' ' A' ' 73' ' ' HIS . 56.5 mt -64.5 -61.15 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.4 mt -52.11 -60.68 2.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 90.0 m -48.02 -58.38 4.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -55.09 -39.42 69.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.512 HD13 ' CH2' ' A' ' 28' ' ' TRP . 6.8 tp -61.03 -34.8 75.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -61.8 -31.94 72.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -76.54 -54.03 7.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.564 HG11 ' CD1' ' A' ' 28' ' ' TRP . 17.1 m -60.53 -35.99 66.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.495 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -79.4 -8.68 59.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.907 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.433 ' N ' HD11 ' A' ' 11' ' ' LEU . 37.5 mt -49.74 -61.05 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.8 m -50.08 -40.77 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -58.75 -59.49 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -73.76 126.01 29.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.73 136.73 17.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.532 ' HA ' ' CD1' ' A' ' 20' ' ' TRP . 60.0 t -62.06 -34.65 64.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.184 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -5.43 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -111.47 -2.33 15.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.532 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 42.7 m0 -66.24 172.78 3.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' GLU . 22.6 p -127.96 159.27 35.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 m -40.96 -25.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.6 tt0 -80.37 -57.87 3.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.93 -43.22 91.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 38.2 t -47.45 -51.25 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.43 ' CG1' ' HB2' ' A' ' 40' ' ' ARG . 69.6 t -69.25 -35.52 68.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.4 mt -60.12 -51.89 67.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.448 ' NE1' HG12 ' A' ' 84' ' ' VAL . 27.1 t90 -57.23 -40.56 77.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.4 tp -75.17 -27.46 59.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -78.38 9.74 3.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -114.27 -22.99 9.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.4 mt -68.59 -26.2 65.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.88 165.6 31.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.49 29.59 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.349 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.635 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.7 p-90 -67.88 -16.46 64.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.441 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -55.08 -40.1 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.431 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 9.3 t -59.0 -14.22 8.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.1 mt -80.55 -14.87 57.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.493 ' CZ ' ' ND1' ' A' ' 73' ' ' HIS . 59.1 m-85 -118.96 -33.17 4.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.438 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 6.6 ptm180 -38.97 -41.56 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -52.81 -44.62 66.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.7 mtt-85 -64.65 -40.46 95.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -58.92 -54.91 41.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.438 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 2.6 mm? -58.06 -57.16 14.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -53.08 -43.17 66.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -84.59 8.53 16.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 41.61 39.56 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.3 t -70.08 107.05 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -89.23 179.32 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.77 -63.14 4.98 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -43.35 -64.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.0 tp -46.64 -37.33 8.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 tt -64.19 -49.98 69.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.3 mt -62.02 -46.29 89.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.8 p -54.91 -41.24 70.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.525 HD12 ' CZ ' ' A' ' 61' ' ' PHE . 21.9 mt -52.83 157.4 1.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.8 p -118.51 168.67 10.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.146 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -61.39 -23.71 65.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.496 ' OE2' ' NE ' ' A' ' 63' ' ' ARG . 1.0 OUTLIER -83.0 -55.23 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -46.14 -45.66 16.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.525 ' CZ ' HD12 ' A' ' 56' ' ' LEU . 23.8 m-85 -56.56 -29.59 62.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.406 ' HB2' ' NE ' ' A' ' 74' ' ' ARG . 10.6 t -95.59 7.11 47.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.496 ' NE ' ' OE2' ' A' ' 59' ' ' GLU . 15.9 mmt180 -100.59 -78.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.537 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -177.62 152.99 0.95 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.531 0.682 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.7 Cg_endo -69.76 -40.48 1.1 Allowed 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.313 -0.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 68' ' ' ILE . 4.9 m-85 -35.13 -43.78 0.22 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 68' ' ' ILE . 11.5 t 38.06 26.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.567 HD11 ' CE1' ' A' ' 73' ' ' HIS . 97.5 mt -33.58 99.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -86.52 26.95 1.01 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -142.72 105.67 4.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 72' ' ' SER . 16.0 m -51.96 -55.67 18.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 71' ' ' SER . 3.2 m -34.52 -52.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.635 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 11.1 t-160 -56.97 -49.23 76.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.406 ' NE ' ' HB2' ' A' ' 62' ' ' SER . 54.5 mtm180 -56.63 -46.35 81.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.414 ' HD3' ' C ' ' A' ' 75' ' ' ARG . 2.4 tmt_? -54.39 -40.25 68.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.54 -50.48 78.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.78 -66.23 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -46.32 -61.79 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.3 m -47.57 -63.99 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -50.88 -35.33 32.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 tp -67.31 -37.44 83.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.33 -25.28 65.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -82.54 -64.63 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.448 HG12 ' NE1' ' A' ' 28' ' ' TRP . 9.7 m -44.62 -44.28 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -73.8 1.4 10.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.832 0.349 . . . . 0.0 110.939 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 28' ' ' TRP . 2.6 mp -64.97 -60.63 2.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.7 m -44.52 -34.78 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -73.8 -65.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 16' ' ' ALA . 20.9 tttt -59.36 108.03 0.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' LYS . . . -35.17 137.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.062 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.47 ' CG2' HG22 ' A' ' 84' ' ' VAL . 97.1 t -60.97 -30.92 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' ' 18' ' ' ASP . 0.1 OUTLIER -65.28 -4.2 5.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -107.88 -4.62 17.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.469 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 36.7 m0 -68.71 165.61 19.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' GLU . 16.2 p -120.52 157.02 30.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' THR . 2.3 m -37.51 -27.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.0 tt0 -78.87 -61.89 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.3 -45.72 69.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.466 HG22 ' N ' ' A' ' 50' ' ' GLY . 91.0 t -45.35 -49.9 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.471 HG21 ' CD1' ' A' ' 44' ' ' LEU . 58.4 t -69.42 -37.56 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mt -58.95 -49.32 78.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.516 ' CZ3' HD21 ' A' ' 53' ' ' LEU . 25.1 t90 -58.17 -39.93 80.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.2 tp -76.4 -28.08 56.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -76.42 7.42 4.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -109.29 -29.68 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 mt -61.48 -26.97 68.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.83 165.58 31.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -23.63 30.47 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.671 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 12.1 p-90 -69.61 -15.24 63.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.406 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -56.75 -40.52 75.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.118 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 t -59.82 -14.59 15.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.7 mt -83.44 -11.47 57.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.599 ' CD1' ' NE2' ' A' ' 73' ' ' HIS . 39.7 m-85 -119.64 -33.78 3.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.446 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 9.7 ptm180 -36.34 -41.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -47.63 -47.49 29.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.8 mtm105 -58.64 -42.14 87.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -58.22 -58.66 7.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.471 ' CD1' HG21 ' A' ' 26' ' ' VAL . 1.1 mm? -55.69 -57.45 11.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -51.42 -46.23 62.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -86.6 9.43 18.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 41.11 40.24 1.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.7 t -66.09 102.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -83.77 166.35 18.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.466 ' N ' HG22 ' A' ' 25' ' ' VAL . . . -46.67 -59.36 5.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.78 -53.25 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.362 . . . . 0.0 110.881 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.2 tp -60.14 -39.11 85.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.516 HD21 ' CZ3' ' A' ' 28' ' ' TRP . 24.8 tp -56.73 -35.88 69.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.4 mt -69.01 -54.72 13.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.2 p -51.54 -32.87 29.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 61' ' ' PHE . 69.8 mt -61.02 129.33 40.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' GLU . 80.6 p -122.07 166.65 14.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -38.81 -26.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 57' ' ' THR . 1.3 tt0 -83.01 -66.71 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -41.61 -41.15 2.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 56' ' ' LEU . 55.1 m-85 -62.85 -38.23 89.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.4 p -77.52 4.54 10.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -112.16 148.61 33.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.499 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -62.58 159.77 40.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 111.097 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.3 Cg_endo -69.8 -28.61 6.18 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.32 0.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.493 ' O ' ' C ' ' A' ' 67' ' ' THR . 1.5 m-85 -46.48 -44.07 17.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.493 ' C ' ' O ' ' A' ' 66' ' ' TYR . 8.2 t 28.97 42.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 66' ' ' TYR . 20.6 mt -53.26 91.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -86.14 44.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -148.63 108.99 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 72' ' ' SER . 54.7 m -52.67 -60.9 2.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 71' ' ' SER . 11.7 t -35.69 -48.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.671 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 2.7 t-80 -54.54 -51.6 64.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.835 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 72.1 mtm-85 -63.83 -47.41 80.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -54.93 -41.85 71.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 58.1 t -73.08 -53.85 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.421 HD13 ' ND1' ' A' ' 73' ' ' HIS . 54.3 mt -54.58 -64.58 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 81' ' ' LEU . 10.1 mp -48.55 -68.84 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' LEU . 55.2 m -37.4 -61.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -56.71 -35.52 68.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 78' ' ' LEU . 8.3 tp -67.61 -38.26 83.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -60.72 -21.46 62.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.3 mtt-85 -88.31 -61.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.47 HG22 ' CG2' ' A' ' 17' ' ' VAL . 15.7 m -52.28 -32.72 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.461 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -73.33 1.81 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.926 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.448 ' N ' HD12 ' A' ' 11' ' ' LEU . 52.0 mt -68.86 -49.22 60.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.7 m -65.0 -24.0 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -82.85 -45.43 14.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.412 ' HD3' ' CD1' ' A' ' 20' ' ' TRP . 20.6 tttp -81.74 134.28 35.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.44 134.99 57.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.564 ' HA ' ' CD1' ' A' ' 20' ' ' TRP . 59.6 t -63.39 -33.45 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -64.13 -6.13 6.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -113.59 -1.16 14.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.564 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 43.2 m0 -65.94 162.97 18.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.1 p -113.3 156.98 22.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -37.89 -35.26 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -72.3 -59.44 2.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -52.15 -45.37 65.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.7 t -48.59 -50.53 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.44 HG23 ' CD2' ' A' ' 44' ' ' LEU . 90.0 t -69.04 -38.48 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.3 mt -58.08 -50.12 74.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.598 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 25.3 t90 -56.98 -41.14 77.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.421 ' HG ' ' CB ' ' A' ' 36' ' ' ALA . 11.3 tp -73.65 -26.94 61.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.951 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -76.73 7.42 4.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -112.31 -21.53 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 mt -72.6 -26.64 61.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.3 164.58 31.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -24.97 29.03 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.645 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 12.9 p-90 -66.75 -17.45 64.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.435 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -56.91 -30.82 64.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.6 t -68.76 -9.6 51.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.3 mt -88.31 -10.93 47.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 42' ' ' ARG . 23.1 m-85 -119.23 -23.61 6.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.427 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 14.1 ptt180 -38.81 -48.33 1.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 2.1 m-20 -53.24 -39.86 64.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' TYR . 9.2 mtp85 -67.89 -35.77 79.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -67.8 -52.59 35.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.44 ' CD2' HG23 ' A' ' 26' ' ' VAL . 3.4 mm? -62.01 -55.72 26.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 t -51.57 -49.55 61.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -76.42 6.87 5.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 48.29 32.87 3.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 80.3 t -61.36 97.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 50' ' ' GLY . 6.1 p-10 -91.96 162.64 14.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 49' ' ' ASN . . . -33.97 -67.14 0.25 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.58 -45.07 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.857 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -63.52 -49.76 72.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.2 tp -48.37 -37.52 16.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.5 mt -71.77 -52.72 16.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.1 p -51.74 -18.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.4 mt -74.13 145.18 44.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 59' ' ' GLU . 72.9 p -137.23 163.13 31.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 57' ' ' THR . 17.4 tt0 -34.4 -33.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 62' ' ' SER . 4.7 mt-10 -73.26 -75.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 59' ' ' GLU . 79.4 mm-40 -35.49 -40.17 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -62.66 -45.34 93.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.6 p -75.64 -9.6 58.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 49.7 mmm-85 -96.15 148.51 22.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.487 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -60.87 160.82 17.92 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.532 0.682 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.8 Cg_endo -69.77 -27.1 7.02 Favored 'Cis proline' 0 C--N 1.341 0.143 0 C-N-CA 122.717 -1.785 . . . . 0.0 112.33 0.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.498 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.5 m-85 -50.41 -42.09 53.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 66' ' ' TYR . 10.7 t 34.93 31.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.498 ' N ' ' O ' ' A' ' 66' ' ' TYR . 88.1 mt -43.65 105.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -98.81 -27.19 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 71' ' ' SER . 2.5 m-20 -76.76 92.26 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 74' ' ' ARG . 4.9 m -33.63 -54.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 71' ' ' SER . 1.3 t -36.15 -49.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.645 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 5.2 t-80 -56.32 -45.12 80.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 71' ' ' SER . 12.4 mtm180 -67.06 -47.22 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -59.43 -44.84 92.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.2 t -64.19 -59.13 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.531 HD12 ' CE1' ' A' ' 73' ' ' HIS . 68.9 mt -54.75 -59.19 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.2 mt -53.5 -68.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.3 m -38.47 -63.3 0.51 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -52.97 -47.49 68.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.598 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 6.0 mt -55.72 -31.45 62.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -74.31 -15.74 60.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -94.56 -55.11 3.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 12.4 m -51.38 -42.65 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 12' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 12' ' ' LEU . 0.8 OUTLIER -35.72 -32.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.926 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.564 HD12 ' CH2' ' A' ' 20' ' ' TRP . 4.1 mm? -33.49 -61.6 0.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.8 m -63.97 -40.05 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -60.62 -69.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -63.5 136.53 57.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.73 134.44 54.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.05 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.507 ' HA ' ' CE2' ' A' ' 20' ' ' TRP . 79.7 t -62.99 -29.82 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.498 ' OD1' ' CD ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -69.39 -1.11 7.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.498 ' CD ' ' OD1' ' A' ' 18' ' ' ASP . 4.3 mptp? -113.44 -2.05 14.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.564 ' CH2' HD12 ' A' ' 12' ' ' LEU . 46.7 m0 -64.56 162.35 15.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.939 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 23' ' ' GLU . 20.7 p -117.46 157.01 27.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 21' ' ' THR . 1.8 m -37.74 -27.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.132 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 21' ' ' THR . 10.4 tt0 -78.64 -56.16 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -60.43 -43.26 96.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.846 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 50' ' ' GLY . 55.6 t -48.18 -50.0 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.3 t -71.25 -34.94 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.15 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 mt -59.9 -51.31 70.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.584 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 21.6 t90 -56.12 -40.26 73.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.415 ' HG ' ' CB ' ' A' ' 36' ' ' ALA . 9.2 tp -72.99 -26.8 61.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -76.11 5.88 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -108.66 -25.61 10.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.459 ' HB3' ' CG1' ' A' ' 76' ' ' VAL . 4.1 mt -67.85 -28.73 67.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.61 164.05 30.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -22.41 31.74 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.647 2.231 . . . . 0.0 112.34 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.665 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.8 p-90 -69.53 -15.55 63.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.43 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -54.76 -37.2 65.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 t -64.93 -12.43 49.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.9 mt -85.05 -15.53 43.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -116.37 -29.82 6.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -39.61 -36.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.41 -45.05 62.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 42' ' ' ARG . 14.9 mtm105 -68.62 -30.61 69.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -68.5 -50.64 50.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.12 -54.35 31.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -52.22 -43.63 64.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -86.17 4.99 36.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 45.32 39.16 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.0 t -63.4 99.2 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -88.71 162.02 16.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.424 ' N ' ' CG2' ' A' ' 25' ' ' VAL . . . -40.65 -61.48 1.86 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.45 -43.3 5.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 0.0 110.836 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.2 tp -70.76 -39.77 73.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.5 tp -55.9 -55.2 35.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 68.6 mt -49.35 -55.56 12.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.958 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.7 p -51.07 -45.9 61.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.6 mt -52.64 131.3 34.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 70.7 p -116.71 171.92 7.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -40.28 -42.69 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -65.08 -71.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 59' ' ' GLU . 10.2 mm-40 -34.95 -44.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -57.86 -45.01 86.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 59' ' ' GLU . 35.9 t -76.63 -7.87 56.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -96.8 145.94 25.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.506 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -58.27 158.96 12.52 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.529 0.681 . . . . 0.0 111.127 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.8 Cg_endo -69.75 -29.08 5.9 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.737 -1.776 . . . . 0.0 112.324 0.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.479 ' O ' ' C ' ' A' ' 67' ' ' THR . 1.2 m-85 -45.7 -44.54 13.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.479 ' C ' ' O ' ' A' ' 66' ' ' TYR . 13.6 t 30.69 41.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 66' ' ' TYR . 32.5 mt -50.64 89.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 67' ' ' THR . 20.0 mt-10 -79.55 44.32 0.61 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.95 114.06 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 72' ' ' SER . 10.7 t -60.45 -57.43 12.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 71' ' ' SER . 2.4 t -35.82 -42.01 0.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.665 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 29.9 t-80 -64.18 -49.63 71.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 62' ' ' SER . 46.7 mtm180 -62.98 -43.25 99.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -55.92 -48.04 76.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.459 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 53.3 t -64.61 -58.43 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.572 ' CD1' ' CE1' ' A' ' 73' ' ' HIS . 56.2 mt -50.01 -56.72 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 79' ' ' THR . 6.8 mp -59.55 -70.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 78' ' ' LEU . 73.4 m -34.19 -51.33 0.43 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.47 -45.59 86.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.584 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 4.6 mt -61.27 -30.56 70.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.45 -28.76 68.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -84.44 -63.15 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.8 m -42.47 -40.06 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.963 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.3 p -91.69 42.21 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.379 . . . . 0.0 110.845 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 4' ' ' GLY . 69.4 m -94.99 105.01 16.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 38.09 -152.42 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.3 p -61.49 172.4 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.907 0.384 . . . . 0.0 110.838 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -68.68 105.79 2.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.22 143.4 4.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -131.21 140.78 49.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.488 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 0.5 OUTLIER -87.15 86.27 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.06 -45.42 0.22 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.516 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -70.22 -6.85 37.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.879 0.371 . . . . 0.0 110.926 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.544 HD11 ' CH2' ' A' ' 20' ' ' TRP . 3.9 mm? -46.24 -59.76 2.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.433 HG22 ' N ' ' A' ' 14' ' ' HIS . 24.1 m -63.93 -46.57 93.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.433 ' N ' HG22 ' A' ' 13' ' ' VAL . 78.3 m-70 -50.34 -31.58 14.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -102.48 124.3 47.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.93 136.88 6.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.468 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 66.3 t -67.76 -23.81 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.087 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.555 ' CG ' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -77.41 0.41 22.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -115.56 -3.1 12.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.544 ' CH2' HD11 ' A' ' 12' ' ' LEU . 41.7 m0 -64.44 168.58 5.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 23' ' ' GLU . 25.3 p -121.76 162.06 21.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -42.9 -23.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 21' ' ' THR . 6.6 tt0 -81.67 -61.46 1.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -55.18 -40.02 70.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.9 t -52.41 -46.05 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.1 t -75.57 -33.82 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.98 -49.2 75.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.54 ' CH2' HD12 ' A' ' 81' ' ' LEU . 12.2 t90 -61.72 -39.35 91.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.455 HD23 ' CZ ' ' A' ' 43' ' ' PHE . 6.7 tp -75.41 -24.62 57.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -78.79 5.92 10.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -108.24 -26.73 10.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.462 ' HB3' ' CG1' ' A' ' 76' ' ' VAL . 5.7 mt -62.95 -26.74 68.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.64 163.57 28.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -20.05 35.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.655 2.237 . . . . 0.0 112.341 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.597 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.5 p-90 -72.91 -13.54 61.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.96 -27.51 61.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 t -68.41 -14.8 63.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.3 mt -83.7 -13.18 54.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.59 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 65.8 m-85 -118.15 -30.24 5.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.441 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 10.7 ptm180 -40.62 -44.95 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.402 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -51.76 -40.36 60.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.5 mtt85 -72.12 -24.49 61.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.455 ' CZ ' HD23 ' A' ' 29' ' ' LEU . 4.9 m-85 -76.73 -41.73 43.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.441 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 3.3 mm? -72.62 -54.62 8.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -52.35 -44.51 65.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -85.37 12.07 9.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 40.49 34.35 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.1 t -60.25 103.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -89.71 175.04 7.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -55.53 -57.95 16.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.11 -36.82 6.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.893 0.378 . . . . 0.0 110.884 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.0 tp -81.18 -33.12 33.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.467 HD22 ' CZ3' ' A' ' 28' ' ' TRP . 53.8 tp -60.59 -37.06 80.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.555 ' CD1' ' CG ' ' A' ' 18' ' ' ASP . 96.9 mt -72.03 -41.15 67.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.7 p -60.04 -40.15 88.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.2 mt -55.79 126.79 27.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.6 p -110.66 171.79 7.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -40.9 -44.53 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 62' ' ' SER . 4.0 mt-10 -63.03 -67.81 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 59' ' ' GLU . 5.4 mm-40 -36.52 -46.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -60.98 -42.11 97.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 59' ' ' GLU . 1.4 t -75.0 -13.9 60.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.7 mmm-85 -96.55 147.92 23.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.488 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -56.97 162.13 4.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.572 0.701 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.6 Cg_endo -69.75 -28.91 6.0 Favored 'Cis proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.354 -0.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 67' ' ' THR . 2.4 m-85 -48.46 -44.18 35.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 66' ' ' TYR . 14.5 t 33.43 37.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.138 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 66' ' ' TYR . 75.7 mt -45.57 93.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' THR . 36.7 mt-10 -81.24 41.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -154.7 106.08 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 74' ' ' ARG . 19.9 m -53.11 -58.48 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 71' ' ' SER . 7.8 t -36.93 -42.71 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.893 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.597 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 56.5 t-80 -60.61 -44.31 96.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' SER . 17.8 mtm105 -67.64 -39.78 84.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -36.09 79.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 93.7 t -69.31 -44.52 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' A' ' 73' ' ' HIS . 62.3 mt -69.03 -63.58 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.7 mt -46.8 -52.81 13.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.6 m -56.11 -67.86 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -45.94 -39.01 8.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.54 HD12 ' CH2' ' A' ' 28' ' ' TRP . 7.7 tp -61.8 -44.67 96.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -58.38 -17.7 22.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -88.16 -57.14 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.468 HG13 ' NE1' ' A' ' 28' ' ' TRP . 25.6 m -60.95 -31.77 50.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.447 ' N ' HG23 ' A' ' 84' ' ' VAL . 17.5 ptt180 -77.53 -43.05 33.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.411 ' N ' ' CG ' ' A' ' 85' ' ' ARG . 10.6 t -92.58 113.28 25.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -95.11 -163.8 34.89 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 135.89 31.69 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.4 m -72.69 -58.53 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 t 62.19 54.38 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.539 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t -161.44 127.06 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 0.0 110.925 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 p 38.85 44.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.92 -54.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -55.41 -51.91 65.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -114.32 158.33 21.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.37 136.6 12.98 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -121.16 28.15 8.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.7 m170 54.49 54.02 9.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.19 -69.56 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.537 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -52.88 -19.32 2.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.937 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.439 ' N ' HD11 ' A' ' 11' ' ' LEU . 12.2 mt -41.07 -67.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.461 HG22 ' N ' ' A' ' 14' ' ' HIS . 32.6 m -49.39 -49.64 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.461 ' N ' HG22 ' A' ' 13' ' ' VAL . 43.3 t-80 -49.27 -74.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -57.02 119.87 7.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.53 140.26 3.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.542 HG22 ' CH2' ' A' ' 20' ' ' TRP . 88.5 t -66.44 -29.39 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.414 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 1.0 OUTLIER -65.95 -4.54 7.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.414 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 2.2 mptm? -113.12 -2.27 14.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.542 ' CH2' HG22 ' A' ' 17' ' ' VAL . 42.4 m0 -66.92 163.55 19.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.8 p -114.55 159.04 20.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.7 m -42.96 -27.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -78.58 -54.52 6.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -60.0 -41.2 91.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.1 t -51.73 -44.78 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.7 t -74.29 -32.95 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.62 -48.66 76.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.967 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.484 ' CZ3' HD22 ' A' ' 53' ' ' LEU . 11.0 t90 -61.76 -40.09 93.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.537 HD21 ' CE2' ' A' ' 43' ' ' PHE . 6.9 tp -73.55 -28.9 62.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.454 ' HA ' ' CB ' ' A' ' 36' ' ' ALA . 33.7 mt-10 -75.4 5.58 5.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.445 ' NE2' ' HA ' ' A' ' 28' ' ' TRP . 38.0 mt-30 -107.28 -27.32 10.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mt -63.43 -23.75 67.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.55 164.74 29.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -21.66 33.23 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.436 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 13.3 p-90 -71.71 -14.22 61.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.454 ' CB ' ' HA ' ' A' ' 30' ' ' GLU . . . -58.97 -20.45 52.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.5 t -77.15 -7.99 56.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.3 mt -89.79 -15.7 31.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.422 ' O ' ' N ' ' A' ' 42' ' ' ARG . 63.3 m-85 -113.84 -24.97 8.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.42 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 14.8 ptt85 -38.51 -46.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.42 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -53.04 -43.56 66.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 39' ' ' TYR . 36.8 mtt-85 -66.37 -26.41 67.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.537 ' CE2' HD21 ' A' ' 29' ' ' LEU . 3.5 m-85 -79.21 -47.95 15.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.408 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 3.3 mm? -66.3 -55.76 14.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 t -50.53 -47.22 57.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -82.27 17.17 1.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 38.85 34.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.3 t -55.38 104.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 50' ' ' GLY . 4.2 p-10 -97.04 162.18 13.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 49' ' ' ASN . . . -34.23 -67.7 0.24 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.42 -48.73 3.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.423 ' C ' HD12 ' A' ' 52' ' ' LEU . 3.0 tm? -59.24 -48.84 80.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.484 HD22 ' CZ3' ' A' ' 28' ' ' TRP . 19.6 tp -49.52 -44.08 46.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.2 mt -68.64 -50.12 53.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.7 p -51.18 -27.39 8.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.4 mt -67.99 129.69 40.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.2 p -118.33 172.25 7.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -51.52 -16.95 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.1 -59.22 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -47.0 -37.29 8.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -64.26 -31.13 72.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.2 t -77.97 6.1 8.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -115.62 145.88 42.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.472 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -63.74 163.93 19.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.617 0.722 . . . . 0.0 111.081 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.472 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.3 Cg_endo -69.81 -16.62 12.28 Favored 'Cis proline' 0 C--O 1.232 0.179 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.316 0.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.506 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.8 m-85 -56.28 -46.78 79.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.507 ' CG2' ' O ' ' A' ' 67' ' ' THR . 1.9 t 30.59 38.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 66' ' ' TYR . 73.1 mt -50.91 97.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -82.79 -21.57 34.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -85.97 90.88 8.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.5 m -38.85 -49.32 1.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 75.5 m -39.71 -47.5 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.564 ' CE1' HD11 ' A' ' 77' ' ' ILE . 26.7 t-80 -55.4 -47.38 75.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -62.25 -33.23 74.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -71.03 -40.32 71.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 64.0 t -65.58 -60.63 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.564 HD11 ' CE1' ' A' ' 73' ' ' HIS . 72.2 mt -52.7 -58.83 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.4 mt -51.75 -66.62 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 85.9 m -43.7 -58.04 2.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -54.39 -41.46 69.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.471 HD11 ' CH2' ' A' ' 28' ' ' TRP . 5.9 tp -59.78 -37.77 80.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.472 ' CD ' ' C ' ' A' ' 82' ' ' GLU . 5.3 tm-20 -58.38 -33.42 69.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -74.39 -66.3 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.47 HG11 ' NE1' ' A' ' 28' ' ' TRP . 15.4 m -44.31 -46.87 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.414 ' CG ' ' N ' ' A' ' 86' ' ' SER . 5.0 ptm180 -68.79 -42.78 76.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.414 ' N ' ' CG ' ' A' ' 85' ' ' ARG . 3.6 t -104.17 98.55 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -123.16 146.19 16.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 144.96 56.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 34.2 t -75.02 98.22 3.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.8 m -83.95 156.46 22.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.7 p -44.7 142.46 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 0.0 110.88 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -158.77 157.13 31.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.43 -97.64 0.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 m -47.68 157.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.918 0.389 . . . . 0.0 110.875 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -90.72 -44.81 9.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.4 107.62 1.08 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.535 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' HIS . 1.3 mp0 -112.46 101.41 9.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.925 0.393 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 8' ' ' GLU . 7.8 p-80 -34.49 118.0 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.832 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.74 -43.28 1.09 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.534 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -67.03 -9.52 40.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.909 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.451 ' N ' HD11 ' A' ' 11' ' ' LEU . 95.9 mt -51.9 -56.77 12.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.3 m -54.93 -41.75 59.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -61.4 -61.8 2.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -69.51 120.84 15.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.11 137.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.52 ' HA ' ' CE2' ' A' ' 20' ' ' TRP . 74.3 t -69.45 -27.05 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.425 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -71.52 0.64 7.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -114.38 -3.68 13.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.52 ' CE2' ' HA ' ' A' ' 17' ' ' VAL . 40.7 m0 -65.42 166.44 10.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.6 p -119.59 164.3 16.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -44.0 -26.09 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -80.01 -60.63 2.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.15 -42.76 69.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.6 t -49.37 -49.75 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.2 t -68.66 -36.09 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 mt -58.93 -52.9 63.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.588 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 32.5 t90 -56.09 -41.84 75.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.566 HD21 ' CZ ' ' A' ' 43' ' ' PHE . 10.2 tp -74.59 -26.3 59.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -79.57 11.79 2.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -116.97 -24.56 7.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.456 ' HB3' ' CG1' ' A' ' 76' ' ' VAL . 7.5 mt -66.52 -26.03 66.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.8 165.77 32.24 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -24.14 30.12 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.62 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 10.2 p-90 -68.34 -15.15 63.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.433 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -56.83 -37.74 71.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 t -62.42 -13.16 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.3 mt -84.55 -12.49 54.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 40' ' ' ARG . 64.3 m-85 -118.67 -33.06 4.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.507 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 7.1 ptm180 -35.71 -51.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.507 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 51.4 m-20 -46.59 -44.24 17.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' TYR . 15.8 mtt85 -67.02 -33.9 76.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.566 ' CZ ' HD21 ' A' ' 29' ' ' LEU . 3.8 m-85 -64.59 -48.08 76.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 2.9 mm? -63.18 -54.88 30.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -53.91 -41.12 67.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' HG3' ' CE1' ' A' ' 66' ' ' TYR . 29.7 mm-40 -85.8 10.55 13.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 42.67 36.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.3 t -62.12 93.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -89.15 164.24 15.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.1 -61.08 1.78 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.453 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.52 -48.99 5.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.484 ' HA ' ' CG2' ' A' ' 55' ' ' THR . 16.6 tp -67.08 -37.65 84.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.98 -16.33 41.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.425 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 52.0 mt -90.42 -51.04 5.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.484 ' CG2' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -63.95 -25.3 68.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.448 HD22 ' CB ' ' A' ' 60' ' ' GLU . 33.5 mt -60.46 134.65 57.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 58' ' ' GLU . 39.4 p -122.95 166.28 15.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 57' ' ' THR . 7.2 tt0 -36.19 -42.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.4 mp0 -57.55 -71.25 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.448 ' CB ' HD22 ' A' ' 56' ' ' LEU . 6.0 mm-40 -37.79 -45.08 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.422 ' HB3' ' CD1' ' A' ' 68' ' ' ILE . 16.3 m-85 -61.99 -41.82 98.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.7 p -80.02 -7.75 59.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -98.23 148.01 24.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.481 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -60.15 162.35 10.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.56 0.695 . . . . 0.0 111.057 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 54.0 Cg_endo -69.7 -19.4 11.18 Favored 'Cis proline' 0 C--O 1.231 0.138 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.382 -0.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.454 ' O ' ' C ' ' A' ' 67' ' ' THR . 1.3 m-85 -56.72 -44.08 81.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 66' ' ' TYR . 14.7 t 33.24 38.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.571 HD11 ' CE1' ' A' ' 73' ' ' HIS . 95.9 mt -45.18 98.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.087 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -85.03 -12.09 53.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -98.32 86.88 3.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 72' ' ' SER . 62.0 m -38.45 -52.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 71' ' ' SER . 1.3 t -36.65 -44.49 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.62 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 12.4 t-160 -58.7 -52.95 63.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.3 mtm105 -56.32 -39.87 73.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -40.67 83.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 80.5 t -69.05 -48.6 68.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.538 ' CD1' ' NE2' ' A' ' 73' ' ' HIS . 93.6 mt -60.7 -66.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.6 mt -48.48 -61.57 1.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.8 m -43.65 -65.7 0.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -48.54 -44.25 36.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.588 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 3.3 mt -61.18 -31.73 71.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.82 -21.77 66.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -91.15 -59.34 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.429 ' CG2' ' HA ' ' A' ' 81' ' ' LEU . 18.8 m -47.62 -39.03 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.435 ' CG ' ' N ' ' A' ' 86' ' ' SER . 5.0 ptm180 -73.79 -44.12 56.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.435 ' N ' ' CG ' ' A' ' 85' ' ' ARG . 3.5 t -43.61 151.61 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.95 81.22 0.24 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -178.89 2.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.238 . . . . 0.0 112.358 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.3 t -124.04 154.25 40.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.0 m -39.09 117.43 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.53 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -109.6 -48.82 3.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t 58.06 42.77 21.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.93 87.33 1.81 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -85.45 -48.34 9.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 m -123.72 89.62 3.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.94 -95.05 0.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.445 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 62.48 29.1 17.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -40.32 109.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.52 -50.28 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.464 HD11 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -71.45 -1.22 12.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.888 0.375 . . . . 0.0 110.969 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.464 ' N ' HD11 ' A' ' 11' ' ' LEU . 17.3 mt -61.77 -55.95 24.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.9 m -62.87 -28.01 44.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -69.91 -59.44 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -74.71 122.19 22.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.31 137.38 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.494 ' HA ' ' CE2' ' A' ' 20' ' ' TRP . 55.8 t -65.28 -33.38 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.497 ' OD1' ' CG ' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -69.29 -1.02 7.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -110.76 -1.49 16.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.494 ' CE2' ' HA ' ' A' ' 17' ' ' VAL . 41.0 m0 -68.66 174.54 4.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 23' ' ' GLU . 20.7 p -125.55 161.15 27.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.462 ' CG2' ' HA ' ' A' ' 47' ' ' ARG . 1.6 m -40.97 -26.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' THR . 10.9 tt0 -78.82 -63.51 1.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -50.02 -47.23 53.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 50' ' ' GLY . 85.6 t -44.67 -48.43 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.5 t -71.92 -35.11 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 mt -60.26 -51.94 67.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.594 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 25.2 t90 -56.51 -41.31 76.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.0 tp -73.2 -26.68 61.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -76.58 6.71 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -109.79 -29.79 8.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.46 ' HB3' ' CG1' ' A' ' 76' ' ' VAL . 5.7 mt -61.92 -27.36 68.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.01 165.13 31.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -25.28 28.74 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.27 . . . . 0.0 112.347 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.562 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.9 p-90 -67.31 -16.85 64.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.454 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -56.18 -31.04 63.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.8 t -68.26 -10.41 54.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.9 mt -86.71 -14.87 41.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.402 ' O ' ' N ' ' A' ' 42' ' ' ARG . 36.5 m-85 -116.95 -24.11 7.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 11.6 ptt85 -39.27 -45.73 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.425 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 7.6 t0 -51.23 -42.03 60.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 39' ' ' TYR . 71.1 mtt-85 -65.94 -29.94 70.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -72.85 -48.21 39.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.403 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 3.1 mm? -66.49 -54.52 23.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -51.55 -45.87 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -87.28 8.94 21.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.462 ' HA ' ' CG2' ' A' ' 22' ' ' THR . 0.0 OUTLIER 39.43 45.73 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 43.5 t -67.14 95.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -78.49 157.18 28.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.465 ' N ' HG23 ' A' ' 25' ' ' VAL . . . -38.59 -58.55 1.74 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.471 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.497 ' CG ' ' OD1' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -45.44 -53.21 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.332 . . . . 0.0 110.84 -179.812 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 23.6 tp -58.07 -38.0 75.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.3 tp -59.45 -38.08 79.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 45.9 mt -65.88 -53.28 41.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.1 p -54.44 -41.35 69.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.449 HD22 ' CB ' ' A' ' 60' ' ' GLU . 72.1 mt -51.61 140.19 19.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 58' ' ' GLU . 37.3 p -127.38 166.06 18.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' THR . 17.6 tt0 -35.8 -37.02 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -66.41 -73.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.449 ' CB ' HD22 ' A' ' 56' ' ' LEU . 48.4 mm-40 -36.44 -41.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.554 ' CE2' HD22 ' A' ' 78' ' ' LEU . 35.0 m-85 -61.59 -46.28 90.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.9 p -77.6 -6.45 53.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -99.41 148.72 23.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.495 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -59.23 160.85 11.09 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.603 0.716 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.2 Cg_endo -69.78 -23.76 8.92 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.343 -0.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.508 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.4 m-85 -52.4 -42.91 64.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.526 ' CG2' ' O ' ' A' ' 67' ' ' THR . 1.7 t 30.08 38.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.179 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 66' ' ' TYR . 37.4 mt -48.03 94.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -83.14 40.26 0.69 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -147.63 106.25 3.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 74' ' ' ARG . 32.1 m -54.84 -63.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 71' ' ' SER . 34.9 m -34.6 -41.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.566 ' CE1' ' CD1' ' A' ' 77' ' ' ILE . 53.9 t-80 -61.23 -50.6 72.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' SER . 9.7 mtm105 -61.67 -42.55 99.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.42 ' HD3' ' C ' ' A' ' 75' ' ' ARG . 4.2 tmt_? -55.71 -41.12 73.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 85.4 t -66.24 -49.2 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.566 ' CD1' ' CE1' ' A' ' 73' ' ' HIS . 91.8 mt -62.25 -62.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.554 HD22 ' CE2' ' A' ' 61' ' ' PHE . 4.4 mm? -50.8 -61.31 2.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.9 m -45.2 -67.5 0.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.171 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -46.55 -51.06 16.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.594 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 4.8 mt -53.52 -40.69 65.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -61.53 -25.0 67.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -84.01 -62.02 1.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.0 m -45.3 -46.09 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.414 ' CG ' ' N ' ' A' ' 86' ' ' SER . 10.1 ptm180 -67.19 -43.68 81.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.414 ' N ' ' CG ' ' A' ' 85' ' ' ARG . 46.9 t -69.02 105.65 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.85 145.69 22.76 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -19.49 36.12 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.712 2.274 . . . . 0.0 112.343 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.0 m -43.66 165.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 93.5 p -68.07 128.62 37.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -110.77 94.1 4.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.927 0.394 . . . . 0.0 110.85 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -87.16 93.33 9.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.9 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.38 -46.49 2.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.447 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 m -128.87 147.38 50.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 110.88 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 m -83.77 126.09 32.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.47 138.58 4.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -170.52 149.65 3.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.891 0.377 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -101.74 104.09 14.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.61 -39.67 0.89 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.538 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -67.35 -12.48 60.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.936 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.562 HD21 ' CZ2' ' A' ' 20' ' ' TRP . 18.6 mt -49.77 -59.85 3.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.6 m -55.81 -32.1 31.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -65.86 -48.06 72.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -87.93 142.93 27.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.588 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -56.64 147.09 23.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.485 ' HA ' ' CE2' ' A' ' 20' ' ' TRP . 83.2 t -76.66 -32.25 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.465 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -69.56 -1.35 8.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -114.65 -3.05 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.588 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 45.3 m0 -63.85 170.76 3.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.1 p -120.72 159.34 25.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.5 m -41.11 -28.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -77.72 -59.79 2.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -53.75 -42.48 68.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.467 ' CG2' ' N ' ' A' ' 50' ' ' GLY . 43.2 t -49.03 -48.79 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.3 t -70.01 -36.37 68.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.34 -51.64 68.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.588 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 31.9 t90 -57.26 -43.23 82.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.471 HD23 ' CE1' ' A' ' 43' ' ' PHE . 11.0 tp -73.17 -28.03 61.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -77.27 8.2 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -112.42 -27.52 8.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mt -64.08 -29.39 70.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.83 165.4 32.74 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -22.8 31.65 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.648 2.232 . . . . 0.0 112.372 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.565 ' CD2' ' CD2' ' A' ' 73' ' ' HIS . 17.5 p-90 -66.78 -17.09 64.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.09 -33.37 67.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.9 t -65.35 -8.92 20.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.5 mt -86.75 -16.24 36.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 40' ' ' ARG . 56.4 m-85 -117.8 -30.41 5.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 10.9 ptm180 -34.62 -50.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.464 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 15.3 m-20 -46.94 -47.08 21.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 39' ' ' TYR . 18.8 mtt-85 -64.19 -38.41 90.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CE1' HD23 ' A' ' 29' ' ' LEU . 57.0 m-85 -62.01 -44.31 96.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 3.0 mm? -70.63 -56.05 7.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -51.88 -47.96 64.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -79.49 6.51 10.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.5 mmm-85 44.51 36.12 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.1 t -66.37 98.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -88.14 172.4 9.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.467 ' N ' ' CG2' ' A' ' 25' ' ' VAL . . . -49.4 -60.35 6.36 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.558 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.33 -48.55 5.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.5 tp -71.29 -31.74 67.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.463 ' CD2' HD11 ' A' ' 81' ' ' LEU . 2.1 tt -65.08 -35.74 82.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 30.5 mt -68.68 -52.85 26.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 50.9 p -55.68 -46.1 77.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.8 mt -42.24 145.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' GLU . 74.3 p -130.37 162.21 29.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' THR . 23.4 tt0 -34.45 -58.17 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.1 tt0 -43.38 -64.49 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -45.87 -42.51 12.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -65.56 -28.08 68.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 59' ' ' GLU . 30.7 t -84.92 -6.11 59.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -106.45 148.2 28.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.461 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -59.67 164.81 5.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.597 0.713 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 54.2 Cg_endo -69.7 -16.8 12.05 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.391 -0.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 68' ' ' ILE . 0.6 OUTLIER -61.04 -44.37 97.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.952 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.495 ' C ' ' O ' ' A' ' 66' ' ' TYR . 2.4 t 29.31 40.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.165 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 66' ' ' TYR . 56.3 mt -42.08 93.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' THR . 20.5 mt-10 -82.98 37.33 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -150.5 105.75 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.1 t -55.24 -48.6 73.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.7 t -40.47 -52.56 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.565 ' CD2' ' CD2' ' A' ' 35' ' ' TRP . 36.1 m170 -55.68 -56.7 17.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 46.9 mtm-85 -49.73 -40.76 41.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -65.19 -41.99 94.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.3 t -67.38 -46.5 83.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 85.1 mt -65.42 -49.12 80.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.6 mt -66.05 -52.36 49.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.9 m -54.54 -55.35 30.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -55.95 -43.52 77.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.588 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 1.3 mt -60.78 -35.95 77.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -62.72 -23.24 67.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.0 mtt180 -88.07 -59.76 2.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.469 ' CG2' ' HA ' ' A' ' 81' ' ' LEU . 13.2 m -44.56 -42.32 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -66.74 -37.33 84.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.6 t -47.08 -49.69 21.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 126.46 -164.5 20.01 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 112.47 3.08 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.0 m -94.43 105.99 17.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.9 m -88.89 138.0 31.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -117.01 95.95 5.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.873 0.368 . . . . 0.0 110.851 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m -111.09 103.39 11.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.98 -145.8 9.99 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.7 m -67.4 160.77 26.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.845 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.8 m -128.89 136.98 51.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.39 146.31 8.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.525 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -77.33 125.81 29.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -101.87 96.48 7.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.13 -59.99 0.28 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.545 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -50.14 -18.03 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.465 ' N ' HD13 ' A' ' 11' ' ' LEU . 18.8 mt -43.24 -59.83 1.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.404 HG21 ' N ' ' A' ' 14' ' ' HIS . 30.4 m -59.21 -39.03 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.404 ' N ' HG21 ' A' ' 13' ' ' VAL . 11.5 t-80 -60.27 -68.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.8 tttt -66.64 119.86 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.455 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -42.3 148.32 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.48 ' HA ' ' CD1' ' A' ' 20' ' ' TRP . 92.1 t -73.17 -32.29 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.416 ' CA ' HD13 ' A' ' 54' ' ' LEU . 3.3 p-10 -66.64 -3.57 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -112.73 0.88 15.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.48 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 43.7 m0 -69.49 164.49 23.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 23' ' ' GLU . 21.7 p -116.6 158.04 24.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -38.75 -26.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 21' ' ' THR . 7.0 tt0 -79.4 -62.89 1.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -54.11 -39.39 66.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.432 ' CG2' ' N ' ' A' ' 50' ' ' GLY . 54.3 t -53.75 -48.48 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.3 t -72.43 -31.71 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.8 mt -63.6 -53.28 54.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.47 ' NE1' HG11 ' A' ' 84' ' ' VAL . 18.6 t90 -57.16 -39.67 75.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.558 HD23 ' CZ ' ' A' ' 43' ' ' PHE . 8.5 tp -75.11 -24.85 58.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -79.81 12.28 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -116.34 -28.45 6.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.468 ' HB3' ' CG1' ' A' ' 76' ' ' VAL . 4.5 mt -61.08 -27.55 68.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.93 165.42 32.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.533 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -25.63 28.52 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.698 2.266 . . . . 0.0 112.359 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.53 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.1 p-90 -66.17 -17.49 64.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.479 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -53.91 -38.71 65.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.7 t -62.3 -9.94 9.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 mt -88.98 -12.65 40.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -117.57 -25.6 6.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.427 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 11.8 ptt85 -40.18 -45.64 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 4.2 m-20 -51.16 -44.44 61.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 -67.83 -29.39 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.558 ' CZ ' HD23 ' A' ' 29' ' ' LEU . 7.2 m-85 -72.89 -49.21 31.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 44' ' ' LEU . 3.7 mm? -66.11 -54.38 26.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -51.38 -48.59 62.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -81.01 10.34 5.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.7 mmt85 44.53 34.29 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.459 ' CG1' HD12 ' A' ' 52' ' ' LEU . 59.0 t -55.87 101.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' GLY . 7.2 p30 -92.98 159.03 15.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.432 ' N ' ' CG2' ' A' ' 25' ' ' VAL . . . -36.48 -63.82 0.66 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -44.2 -45.83 8.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.459 HD12 ' CG1' ' A' ' 48' ' ' VAL . 3.2 tm? -64.79 -49.17 71.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 tt -51.89 -38.72 57.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.416 HD13 ' CA ' ' A' ' 18' ' ' ASP . 17.3 mt -67.68 -54.46 19.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.6 p -50.13 -30.32 10.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.47 ' CB ' ' CZ ' ' A' ' 61' ' ' PHE . 75.3 mt -63.11 132.89 53.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.1 p -116.71 168.28 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -48.19 -19.62 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.9 -60.82 1.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -51.83 -28.65 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.47 ' CZ ' ' CB ' ' A' ' 56' ' ' LEU . 27.1 m-85 -69.39 -27.19 65.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.9 t -88.0 2.7 51.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -101.4 147.15 26.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.53 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -61.19 154.77 60.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.557 0.694 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.9 Cg_endo -69.77 -31.09 4.77 Favored 'Cis proline' 0 C--O 1.231 0.166 0 C-N-CA 122.644 -1.815 . . . . 0.0 112.341 0.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.8 m-85 -39.62 -47.25 1.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 69' ' ' GLU . 12.7 t 33.31 34.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 66' ' ' TYR . 78.2 mt -50.26 87.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 67' ' ' THR . 10.3 mt-10 -78.77 -24.98 44.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -87.19 92.46 9.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 72' ' ' SER . 23.2 t -38.5 -44.92 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 71' ' ' SER . 22.9 t -34.93 -48.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.582 ' CE1' ' CD1' ' A' ' 77' ' ' ILE . 9.5 t-160 -55.64 -57.55 11.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -51.92 -48.31 64.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -53.42 -45.44 69.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 45.1 t -68.79 -59.63 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.582 ' CD1' ' CE1' ' A' ' 73' ' ' HIS . 60.7 mt -49.01 -64.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 79' ' ' THR . 11.1 mp -49.45 -70.94 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' LEU . 94.6 m -36.13 -62.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -54.97 -38.42 67.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.468 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 7.5 tp -64.17 -41.7 97.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -56.87 -30.87 64.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -78.61 -64.93 1.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.47 HG11 ' NE1' ' A' ' 28' ' ' TRP . 4.1 m -43.29 -44.91 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.45 ' HG3' ' N ' ' A' ' 86' ' ' SER . 10.6 ptm180 -66.51 -36.42 82.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.45 ' N ' ' HG3' ' A' ' 85' ' ' ARG . 7.1 t -65.28 -60.95 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.62 -177.39 19.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 1.83 4.07 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.677 2.251 . . . . 0.0 112.338 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.1 t -46.21 144.81 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 91.0 p -104.58 144.27 31.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 m -89.78 104.27 16.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.922 0.391 . . . . 0.0 110.878 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t -84.05 150.44 25.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 179.78 78.03 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.53 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 4' ' ' GLY . 25.9 p 38.13 42.85 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.347 . . . . 0.0 110.86 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -99.64 150.45 22.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.9 49.08 0.18 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.465 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.491 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 70.4 mm-40 -122.95 110.73 15.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.907 0.384 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -66.35 96.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.59 -58.16 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.495 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.556 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -62.19 -10.8 11.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.899 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.559 HD13 ' CZ2' ' A' ' 20' ' ' TRP . 4.3 mm? -57.68 -56.56 20.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.3 m -68.49 -16.44 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -85.88 -27.88 24.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -107.61 123.63 48.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.59 135.78 6.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.526 ' HA ' ' CD1' ' A' ' 20' ' ' TRP . 87.7 t -63.61 -33.39 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.433 ' OD1' ' CD ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -64.76 -5.39 5.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' CD ' ' OD1' ' A' ' 18' ' ' ASP . 3.8 mptp? -113.34 1.29 15.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.559 ' CZ2' HD13 ' A' ' 12' ' ' LEU . 44.6 m0 -67.76 160.94 27.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.6 p -108.97 156.94 19.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.4 m -40.17 -29.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.173 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -77.78 -59.13 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -51.95 -41.85 62.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 50' ' ' GLY . 35.8 t -51.75 -48.49 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.424 ' CG1' ' HB2' ' A' ' 40' ' ' ARG . 61.3 t -70.91 -37.27 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mt -59.37 -50.56 73.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 29.9 t90 -59.33 -41.92 90.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.4 tp -73.55 -28.49 61.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -77.83 6.73 6.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -109.89 -25.81 10.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mt -66.2 -28.52 68.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.2 165.5 32.06 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -23.32 30.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.711 2.274 . . . . 0.0 112.324 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.42 ' CD2' ' CD2' ' A' ' 73' ' ' HIS . 20.7 p-90 -67.3 -17.0 64.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.06 -26.99 65.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.418 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 8.3 t -70.42 -10.25 58.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.1 mt -85.41 -11.47 54.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 40' ' ' ARG . 60.5 m-85 -124.17 -31.58 3.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.488 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 6.4 ptm180 -36.3 -51.62 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.488 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 10.7 m-20 -46.26 -44.44 16.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 39' ' ' TYR . 15.1 mtp85 -60.94 -37.91 84.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -62.13 -57.94 9.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -55.24 -59.04 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 t -49.5 -53.47 23.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -78.24 4.24 13.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.8 mmm-85 44.86 43.32 6.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.3 t -74.03 92.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -77.6 174.94 10.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.45 ' N ' ' CG2' ' A' ' 25' ' ' VAL . . . -52.42 -57.55 13.36 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.2 -37.62 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 0.0 110.869 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.2 tp -81.73 -36.73 28.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.47 -32.65 71.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.3 mt -72.39 -50.28 27.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.5 p -54.47 -37.93 65.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.3 mt -56.12 132.87 51.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 58' ' ' GLU . 65.2 p -112.82 161.98 16.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.195 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 57' ' ' THR . 18.1 tt0 -34.66 -44.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 62' ' ' SER . 0.4 OUTLIER -60.48 -71.04 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' GLU . 24.7 mm-40 -37.54 -40.46 0.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -61.59 -42.42 98.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 59' ' ' GLU . 11.8 t -85.26 0.93 50.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -108.28 145.66 34.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.539 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -51.1 151.2 4.93 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.596 0.712 . . . . 0.0 111.094 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 54.2 Cg_endo -69.73 -42.81 0.69 Allowed 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.351 -0.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.498 ' O ' ' N ' ' A' ' 68' ' ' ILE . 2.4 m-85 -37.7 -43.15 0.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 67' ' ' THR . 1.8 t 30.66 37.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.131 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.498 ' N ' ' O ' ' A' ' 66' ' ' TYR . 68.5 mt -45.9 92.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 67' ' ' THR . 17.9 mt-10 -84.86 40.65 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.415 ' HB3' ' ND1' ' A' ' 73' ' ' HIS . 0.8 OUTLIER -148.45 107.73 3.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 72' ' ' SER . 59.7 m -56.07 -60.48 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 71' ' ' SER . 22.5 m -34.29 -45.5 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.843 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.42 ' CD2' ' CD2' ' A' ' 35' ' ' TRP . 45.8 m170 -59.92 -56.08 26.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 62' ' ' SER . 54.7 mtm-85 -52.43 -44.87 65.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.96 -57.8 10.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.7 t -54.8 -56.21 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 52.0 mt -51.23 -73.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -41.69 -61.67 1.04 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.5 m -44.86 -62.17 1.32 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -50.19 -41.7 49.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.458 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 5.2 tp -61.78 -40.38 94.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -60.15 -17.48 40.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 30.0 mtt-85 -93.33 -58.25 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 81' ' ' LEU . 6.8 m -53.55 -38.85 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.438 ' CG ' ' N ' ' A' ' 86' ' ' SER . 9.8 ptm180 -75.03 -46.0 37.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.438 ' N ' ' CG ' ' A' ' 85' ' ' ARG . 12.5 t -66.15 176.97 1.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.416 ' N ' ' OG ' ' A' ' 86' ' ' SER . . . -88.29 -163.88 39.7 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.51 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 170.03 17.51 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.338 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.8 m -140.9 111.7 7.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 t -44.71 128.35 6.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.507 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.0 p -63.73 -20.37 65.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 0.0 110.852 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 p -75.46 120.85 21.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.51 174.3 0.49 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -163.68 169.89 17.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.881 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 m -136.42 166.26 23.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.03 131.47 2.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -125.89 134.27 51.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.555 ' CD2' ' OE1' ' A' ' 31' ' ' GLN . 10.6 t-160 -113.72 87.87 2.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.59 -49.73 0.22 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.459 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -70.28 -3.69 18.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.914 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.454 ' N ' HD11 ' A' ' 11' ' ' LEU . 44.9 mt -72.61 -60.35 2.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.8 m -55.34 -43.67 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -57.12 -44.27 83.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -88.13 141.03 28.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.65 136.54 56.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.519 ' HA ' ' CE2' ' A' ' 20' ' ' TRP . 87.1 t -62.69 -32.06 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.74 -3.86 7.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -115.21 6.71 15.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.519 ' CE2' ' HA ' ' A' ' 17' ' ' VAL . 41.0 m0 -77.17 168.59 19.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' GLU . 13.0 p -121.05 156.76 31.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 m -38.16 -28.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' THR . 14.0 tt0 -76.6 -57.68 3.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.55 -40.38 82.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.7 t -50.98 -48.22 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.6 t -70.93 -33.33 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.8 mt -61.53 -53.23 59.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.458 ' CH2' HD12 ' A' ' 81' ' ' LEU . 24.8 t90 -56.39 -40.34 74.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.455 ' CD1' HG12 ' A' ' 77' ' ' ILE . 8.8 tp -74.86 -26.65 59.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.95 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -77.77 8.99 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.555 ' OE1' ' CD2' ' A' ' 9' ' ' HIS . 37.5 mt-30 -111.85 -28.48 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' HB3' ' CG1' ' A' ' 76' ' ' VAL . 5.0 mt -63.08 -27.1 69.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.74 164.72 30.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -23.33 31.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.619 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.6 p-90 -68.97 -15.89 63.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.977 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.435 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -56.48 -38.93 72.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.106 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.7 t -61.18 -13.68 19.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.2 mt -85.44 -10.44 56.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -118.31 -25.85 6.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.408 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 12.0 ptt180 -39.61 -42.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.833 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -47.84 -43.71 28.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.416 ' NH2' ' HB3' ' A' ' 66' ' ' TYR . 15.8 mtm180 -63.03 -46.85 85.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -58.71 -51.25 70.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.408 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 2.7 mm? -63.7 -56.76 13.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -53.06 -49.95 65.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -84.98 7.41 21.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 40.99 42.52 1.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.4 t -65.68 90.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -72.1 169.36 16.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.91 -53.96 27.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.31 -45.21 34.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.361 . . . . 0.0 110.847 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.6 tp -70.46 -33.22 71.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -43.68 94.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.8 mt -61.4 -54.11 47.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.3 p -49.5 -43.26 45.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.411 HD22 ' CB ' ' A' ' 60' ' ' GLU . 39.9 mt -50.15 147.83 3.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' GLU . 62.0 p -131.04 164.91 24.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -42.92 -23.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -82.18 -59.32 2.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.461 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 8.0 mm-40 -53.02 -29.92 32.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.473 ' CD2' HD13 ' A' ' 78' ' ' LEU . 42.1 m-85 -69.26 -32.25 71.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.02 10.73 20.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -111.34 151.2 28.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.531 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -61.77 154.34 67.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.561 0.696 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.3 Cg_endo -69.78 -30.48 5.12 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.369 0.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 68' ' ' ILE . 2.7 m-85 -40.07 -45.69 2.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 66' ' ' TYR . 13.3 t 33.67 34.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 66' ' ' TYR . 98.1 mt -46.45 92.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' THR . 13.9 mt-10 -85.77 26.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.462 ' ND2' ' HB2' ' A' ' 72' ' ' SER . 10.4 t30 -140.52 105.08 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 72' ' ' SER . 47.8 m -50.28 -53.33 29.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.462 ' HB2' ' ND2' ' A' ' 70' ' ' ASN . 39.0 m -34.55 -51.73 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.619 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 23.2 t-80 -51.39 -53.27 38.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 86.4 mtm-85 -60.44 -51.21 70.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.408 ' HD3' ' C ' ' A' ' 75' ' ' ARG . 3.9 tmt_? -49.21 -40.09 32.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.455 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 55.0 t -71.07 -68.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.585 ' CD1' ' CE1' ' A' ' 73' ' ' HIS . 81.4 mt -43.57 -59.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.473 HD13 ' CD2' ' A' ' 61' ' ' PHE . 9.1 mp -52.79 -69.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.0 m -38.37 -52.85 1.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -63.99 -36.62 84.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.458 HD12 ' CH2' ' A' ' 28' ' ' TRP . 8.3 tp -61.72 -45.89 91.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -53.65 -36.03 61.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.0 mtp85 -71.45 -65.15 0.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.81 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.457 HG12 ' NE1' ' A' ' 28' ' ' TRP . 12.3 m -43.94 -46.38 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 86' ' ' SER . 8.1 ptm180 -66.2 -35.37 80.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.445 ' N ' ' HG3' ' A' ' 85' ' ' ARG . 39.6 t -66.64 139.46 57.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.9 133.68 27.37 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.452 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 152.13 69.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -118.67 163.29 17.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.2 t -86.79 -62.53 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m -129.58 92.47 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.843 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -167.24 140.01 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.67 151.57 23.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -123.71 -57.39 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.9 m -84.59 102.55 12.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.69 42.49 1.37 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -128.42 150.08 50.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.93 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.581 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 0.5 OUTLIER -81.49 106.99 13.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.46 -50.19 0.48 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.461 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.551 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -54.04 -21.15 7.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.955 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.443 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 20.9 mt -40.81 -58.2 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.1 m -57.75 -46.15 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -51.99 -47.22 65.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -87.05 128.37 35.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.2 135.21 17.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.562 ' HA ' ' CD1' ' A' ' 20' ' ' TRP . 60.2 t -67.58 -28.66 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.448 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 3.2 p-10 -69.77 -1.52 9.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -115.16 -2.27 12.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.562 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 43.8 m0 -63.07 165.14 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 23' ' ' GLU . 19.7 p -119.18 155.37 31.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' THR . 7.2 m -37.04 -30.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 21' ' ' THR . 18.5 tt0 -75.85 -57.76 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -58.48 -40.08 81.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.9 t -52.06 -50.77 33.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.424 ' CG1' ' HB2' ' A' ' 40' ' ' ARG . 88.6 t -69.77 -34.19 59.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 mt -60.48 -51.49 69.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.585 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 21.9 t90 -56.18 -40.23 73.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.3 tp -73.23 -24.95 60.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -78.43 8.64 4.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -112.35 -24.23 9.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.462 ' HB3' ' CG1' ' A' ' 76' ' ' VAL . 5.0 mt -68.11 -28.12 67.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.17 162.88 28.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -18.56 37.02 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.332 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.642 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.0 p-90 -73.74 -13.16 60.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.92 -39.57 74.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.0 t -62.45 -10.29 11.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.2 mt -85.81 -13.63 47.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.449 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 13.5 m-85 -120.9 -27.77 4.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.441 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 7.3 ptm180 -39.52 -33.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.31 -45.39 80.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.422 ' NH1' ' HA ' ' A' ' 66' ' ' TYR . 14.4 mtm105 -66.87 -29.72 69.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -71.35 -51.88 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.441 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 2.9 mm? -62.88 -55.83 22.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -50.51 -48.83 56.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 47' ' ' ARG . 78.6 mm-40 -81.84 15.55 2.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 46' ' ' GLU . 29.1 mmm-85 34.99 43.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.1 t -68.34 106.13 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -93.23 170.97 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -50.71 -59.88 7.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.516 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -44.38 -35.3 2.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 46.1 tp -81.13 -33.52 33.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.9 tp -63.94 -46.99 82.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.448 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 33.7 mt -58.27 -48.36 80.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.6 p -55.45 -46.35 76.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.497 HD12 ' CE1' ' A' ' 61' ' ' PHE . 65.4 mt -49.96 147.54 3.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.41 ' C ' ' N ' ' A' ' 59' ' ' GLU . 46.3 p -130.38 169.12 15.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -45.3 -21.43 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 57' ' ' THR . 0.5 OUTLIER -87.07 -63.51 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -42.35 -41.79 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.497 ' CE1' HD12 ' A' ' 56' ' ' LEU . 56.3 m-85 -60.54 -39.3 87.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.3 p -79.94 11.36 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -115.12 148.14 39.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.522 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -58.83 154.68 35.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.568 0.699 . . . . 0.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.5 Cg_endo -69.78 -29.06 5.92 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.369 0.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.5 m-85 -42.55 -49.62 5.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 66' ' ' TYR . 13.7 t 33.18 36.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 66' ' ' TYR . 18.5 mt -46.67 91.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' THR . 15.4 mt-10 -80.28 43.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -155.57 105.32 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 74' ' ' ARG . 62.6 m -56.12 -57.94 10.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 71' ' ' SER . 6.4 m -37.1 -40.91 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.642 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 55.6 t-80 -63.8 -42.79 97.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 71' ' ' SER . 37.1 mtm180 -67.87 -41.2 83.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -43.98 82.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 96.3 t -65.46 -42.8 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.567 HD11 ' CE1' ' A' ' 73' ' ' HIS . 56.3 mt -68.26 -62.82 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.424 HD22 ' CD2' ' A' ' 61' ' ' PHE . 3.9 mm? -50.93 -60.44 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.7 m -46.09 -59.64 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -54.75 -40.84 69.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.585 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 4.4 mt -65.81 -32.61 74.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -64.27 -26.02 68.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 52.4 mtt-85 -86.54 -58.26 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 81' ' ' LEU . 28.6 m -47.18 -40.11 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 86' ' ' SER . 7.6 ptm180 -78.18 -43.43 28.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.421 ' N ' ' CG ' ' A' ' 85' ' ' ARG . 9.2 t -136.53 108.95 7.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 156.64 82.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.551 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 84.96 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.358 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.3 p -83.45 166.89 17.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 90.6 p -143.66 112.25 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.466 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -119.52 -35.26 3.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 110.829 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.1 m 39.86 42.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.2 140.65 16.17 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.5 m 50.27 40.44 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.367 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.1 p -136.62 111.71 8.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.03 131.51 9.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.432 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -147.41 143.75 28.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 24.1 p-80 -115.89 116.37 27.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.41 -47.82 0.98 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.524 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.546 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -61.25 -14.31 25.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.567 HD11 ' CZ2' ' A' ' 20' ' ' TRP . 4.3 mm? -39.83 -56.03 1.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.6 m -63.51 -47.36 91.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -47.49 -36.32 10.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -103.72 126.02 50.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.599 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -46.12 150.88 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.456 ' CG2' HG22 ' A' ' 84' ' ' VAL . 92.0 t -75.96 -32.18 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.086 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.437 ' CA ' HD13 ' A' ' 54' ' ' LEU . 2.1 p-10 -70.06 -1.02 8.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -114.43 -2.87 13.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 43.8 m0 -64.86 161.16 18.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' GLU . 22.3 p -110.4 158.11 18.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.151 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.4 m -41.86 -23.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.142 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.7 tt0 -82.03 -55.81 4.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -56.28 -45.69 80.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.457 HG22 ' N ' ' A' ' 50' ' ' GLY . 95.1 t -46.37 -47.7 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.8 t -71.05 -34.43 55.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.38 -54.47 39.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.568 ' CH2' HD13 ' A' ' 81' ' ' LEU . 27.5 t90 -56.83 -40.6 76.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.528 HD23 ' CZ ' ' A' ' 43' ' ' PHE . 10.9 tp -74.77 -27.78 60.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -77.42 6.63 6.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -110.14 -26.56 9.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.409 ' HB3' ' CG1' ' A' ' 76' ' ' VAL . 5.2 mt -65.01 -28.97 69.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.0 164.59 31.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -22.49 32.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 19.9 p-90 -68.21 -16.47 63.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.25 -32.57 68.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.073 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -65.15 -12.52 51.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 mt -86.48 -12.75 48.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -118.34 -19.18 9.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.447 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 12.7 ptt85 -47.67 -46.3 29.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.447 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 2.4 t70 -48.27 -42.33 30.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.6 mtt-85 -69.82 -37.98 76.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.528 ' CZ ' HD23 ' A' ' 29' ' ' LEU . 5.0 m-85 -62.03 -44.33 96.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.425 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 3.1 mm? -74.1 -55.26 6.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -50.65 -51.7 46.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -80.41 12.3 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 43.9 35.34 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.826 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.9 t -59.74 102.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.0 p30 -93.66 163.53 13.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.457 ' N ' HG22 ' A' ' 25' ' ' VAL . . . -40.87 -62.85 1.61 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -37.32 -51.6 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 110.862 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 42.9 tp -66.87 -39.67 87.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.516 HD22 ' CZ3' ' A' ' 28' ' ' TRP . 16.6 tp -56.16 -37.94 70.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.437 HD13 ' CA ' ' A' ' 18' ' ' ASP . 48.2 mt -71.69 -50.3 31.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.8 p -54.66 -44.4 73.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.4 mt -44.24 142.81 1.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' GLU . 72.7 p -129.0 167.16 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' THR . 1.2 tm-20 -35.41 -46.02 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 62' ' ' SER . 4.7 mt-10 -62.56 -72.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' GLU . 32.6 mt-10 -35.91 -46.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -61.37 -42.41 98.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 59' ' ' GLU . 29.8 t -79.54 -4.8 53.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -99.08 148.28 24.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.534 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -56.72 153.69 20.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.59 0.709 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.9 Cg_endo -69.74 -40.35 1.12 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.376 -0.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.501 ' O ' ' N ' ' A' ' 68' ' ' ILE . 0.6 OUTLIER -37.09 -45.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 66' ' ' TYR . 10.8 t 35.79 30.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.501 ' N ' ' O ' ' A' ' 66' ' ' TYR . 91.9 mt -41.45 107.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -100.3 -23.75 14.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 71' ' ' SER . 10.2 m-20 -78.78 84.85 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 72' ' ' SER . 15.3 t -34.34 -57.3 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 71' ' ' SER . 36.3 m -34.59 -45.88 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.86 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -58.76 -55.97 28.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 74' ' ' ARG . 14.2 mtm105 -48.9 -45.33 41.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -44.7 95.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 58.7 t -63.29 -53.0 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.149 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.4 mt -58.24 -58.81 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.9 mt -54.74 -57.34 11.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.5 m -51.88 -54.54 28.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -56.66 -43.71 80.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.568 HD13 ' CH2' ' A' ' 28' ' ' TRP . 9.1 tp -59.63 -42.41 92.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -56.04 -21.89 24.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -86.73 -66.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.456 HG22 ' CG2' ' A' ' 17' ' ' VAL . 20.4 m -47.14 -30.96 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 86' ' ' SER . 8.0 ptm180 -79.07 -39.78 32.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.429 ' N ' ' HG3' ' A' ' 85' ' ' ARG . 1.6 m -78.39 135.53 37.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.29 68.26 0.55 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.486 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -41.85 3.87 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.0 p -113.83 140.4 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 87.9 p -113.91 140.34 48.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.838 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.453 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -160.04 145.4 15.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -64.43 97.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.59 -110.48 0.7 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t 55.76 42.28 29.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.348 . . . . 0.0 110.847 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 t -143.87 127.72 17.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.29 142.93 10.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.466 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -122.12 176.04 6.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.494 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 31.7 p-80 -117.86 103.26 9.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.34 -36.95 0.86 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.474 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.482 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -74.65 -4.82 39.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 110.923 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.461 ' N ' HD11 ' A' ' 11' ' ' LEU . 21.4 mt -58.21 -44.74 88.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.7 m -70.66 -16.94 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -81.88 -39.41 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -95.33 126.77 40.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.491 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -43.49 139.7 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.506 ' HA ' ' CE2' ' A' ' 20' ' ' TRP . 68.2 t -71.4 -33.07 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.463 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -70.35 -0.36 8.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 5.1 mptp? -113.58 -3.92 13.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.506 ' CE2' ' HA ' ' A' ' 17' ' ' VAL . 43.0 m0 -64.12 173.16 2.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' GLU . 24.6 p -124.45 155.99 37.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.5 m -39.72 -26.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 21' ' ' THR . 16.7 tt0 -78.66 -52.06 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -63.61 -40.37 96.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.3 t -49.93 -50.35 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.4 t -68.9 -32.94 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 mt -61.69 -51.99 66.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.593 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 25.6 t90 -57.74 -42.12 83.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.544 HD23 ' CE1' ' A' ' 43' ' ' PHE . 19.7 tp -73.18 -26.43 61.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.947 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -77.12 7.95 4.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -110.88 -30.02 7.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.465 ' HB3' ' CG1' ' A' ' 76' ' ' VAL . 5.7 mt -61.16 -26.63 67.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.04 163.8 28.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -21.04 33.94 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.623 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 12.0 p-90 -71.69 -14.54 62.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.411 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -59.24 -26.8 65.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 t -70.46 -11.6 61.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.2 mt -87.32 -10.89 51.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.505 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 76.0 m-85 -117.62 -27.72 6.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.439 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 13.8 ptt85 -37.54 -47.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.439 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 2.9 t70 -46.5 -44.55 17.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.425 ' CD ' ' HA ' ' A' ' 66' ' ' TYR . 45.3 mtt-85 -67.26 -28.04 67.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CE1' HD23 ' A' ' 29' ' ' LEU . 48.7 m-85 -74.56 -45.12 47.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.427 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 3.0 mm? -71.74 -54.45 10.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -50.67 -49.55 56.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -83.34 9.34 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 42.29 39.17 1.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.2 t -63.37 96.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -85.87 168.33 14.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.41 -57.77 7.07 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -43.85 -42.82 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 110.846 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.5 tp -72.79 -40.42 65.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.0 tp -53.93 -41.23 67.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 55.0 mt -67.36 -49.22 64.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.3 p -58.74 -22.15 57.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.427 HD12 ' CE1' ' A' ' 61' ' ' PHE . 55.3 mt -72.42 133.26 44.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.6 p -110.82 169.55 8.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -52.57 -16.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.51 -57.79 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -46.86 -41.77 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.427 ' CE1' HD12 ' A' ' 56' ' ' LEU . 47.2 m-85 -60.01 -32.01 70.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.5 t -87.21 14.75 7.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -114.56 149.08 37.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.536 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -58.95 152.29 50.71 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.581 0.705 . . . . 0.0 111.097 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 54.4 Cg_endo -69.7 -31.62 4.42 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.397 -0.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.469 ' O ' ' N ' ' A' ' 68' ' ' ILE . 2.5 m-85 -38.28 -45.28 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 66' ' ' TYR . 13.3 t 33.29 35.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.469 ' N ' ' O ' ' A' ' 66' ' ' TYR . 53.0 mt -47.23 91.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.174 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 67' ' ' THR . 18.8 mt-10 -85.55 21.48 1.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -132.42 105.13 7.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 74' ' ' ARG . 1.8 m -53.81 -59.88 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 71' ' ' SER . 52.0 m -36.06 -43.21 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.623 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 57.1 t-80 -61.22 -45.54 94.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 71' ' ' SER . 46.4 mtm180 -62.91 -44.72 95.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -46.71 75.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 60.5 t -59.33 -47.27 91.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.521 HD12 ' CE1' ' A' ' 73' ' ' HIS . 76.5 mt -66.1 -61.59 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.56 -60.45 3.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 75.5 m -46.1 -61.47 1.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -54.22 -39.37 66.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.593 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 5.2 mt -64.7 -35.65 81.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -64.07 -28.9 70.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -81.9 -55.66 4.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 81' ' ' LEU . 22.7 m -53.22 -36.9 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -85.73 -175.04 5.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.9 t -65.51 103.22 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.78 71.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.82 104.64 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.731 2.287 . . . . 0.0 112.295 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.6 t 39.79 42.02 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -134.91 155.3 50.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -54.38 132.7 44.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.359 . . . . 0.0 110.884 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 m -158.57 167.23 30.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.829 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.27 -176.94 29.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -126.37 -45.46 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.86 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 t -161.75 140.24 9.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.37 118.56 3.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.476 ' N ' ' CD ' ' A' ' 8' ' ' GLU . 1.1 pm0 -166.49 125.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -127.04 103.9 7.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.813 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.28 -30.14 1.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.453 HD13 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -87.26 1.88 51.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.888 0.375 . . . . 0.0 110.949 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.518 HD12 ' CE2' ' A' ' 20' ' ' TRP . 4.4 mm? -62.52 -61.81 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 14' ' ' HIS . 21.1 m -47.42 -32.86 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.466 ' N ' HG23 ' A' ' 13' ' ' VAL . 5.2 t60 -78.15 -65.28 1.0 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -60.66 123.19 16.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.418 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -44.8 139.78 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.524 ' HA ' ' CD1' ' A' ' 20' ' ' TRP . 87.1 t -69.83 -32.04 50.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.446 ' OD2' ' NZ ' ' A' ' 19' ' ' LYS . 5.1 p-10 -66.79 -3.87 7.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.446 ' NZ ' ' OD2' ' A' ' 18' ' ' ASP . 12.1 mptt -113.04 -2.33 14.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.524 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 44.3 m0 -64.86 163.37 14.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' GLU . 24.1 p -119.65 154.71 33.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 21' ' ' THR . 1.4 m -37.25 -28.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 21' ' ' THR . 7.4 tt0 -76.92 -54.55 6.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.85 -41.84 98.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.8 t -47.88 -51.68 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.185 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.416 ' CG1' ' HB2' ' A' ' 40' ' ' ARG . 99.3 t -67.96 -34.67 68.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.03 -54.83 41.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.608 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 34.2 t90 -55.41 -42.57 74.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.534 HD21 ' CZ ' ' A' ' 43' ' ' PHE . 12.2 tp -73.1 -25.63 60.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -78.14 8.58 4.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -111.96 -30.45 7.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.46 ' HB3' ' CG1' ' A' ' 76' ' ' VAL . 6.6 mt -60.54 -29.48 69.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.45 165.27 32.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.458 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -25.55 28.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.631 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 9.7 p-90 -66.11 -17.47 64.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.492 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -52.96 -39.28 62.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.7 t -59.47 -11.81 5.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.6 mt -84.12 -18.71 35.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.467 ' CZ ' ' ND1' ' A' ' 73' ' ' HIS . 76.4 m-85 -113.19 -32.28 6.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.446 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 7.9 ptm180 -37.88 -46.64 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.446 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 31.3 m-20 -46.72 -44.28 18.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.8 mtt-85 -67.78 -37.3 81.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.534 ' CZ ' HD21 ' A' ' 29' ' ' LEU . 73.5 m-85 -62.16 -43.82 97.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -70.77 -56.25 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -51.79 -44.56 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' ARG . 76.7 mm-40 -88.02 16.01 6.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' GLU . 32.0 mmt180 34.37 41.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.1 t -65.96 95.31 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -82.07 168.42 17.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -50.55 -56.11 14.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -34.71 16.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.7 tp -80.92 -35.11 32.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.16 -42.03 98.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.82 -45.71 92.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.8 p -57.33 -42.93 82.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.155 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.1 mt -55.76 141.65 37.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.496 ' N ' ' OE2' ' A' ' 60' ' ' GLU . 30.6 p -124.01 -174.9 3.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.84 -18.2 54.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -82.71 -55.78 4.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.496 ' OE2' ' N ' ' A' ' 57' ' ' THR . 1.6 mp0 -50.36 -52.25 38.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.464 ' HB3' ' CD1' ' A' ' 68' ' ' ILE . 22.4 m-85 -58.32 -28.32 64.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.1 t -77.88 -31.89 51.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.3 ptt85 -94.03 164.95 12.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.485 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -61.93 162.32 17.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.541 0.686 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.7 Cg_endo -69.81 -44.77 0.47 Allowed 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.298 0.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.436 ' O ' ' CG2' ' A' ' 67' ' ' THR . 3.6 m-85 -41.2 -48.88 3.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 69' ' ' GLU . 10.9 t 44.76 29.13 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 61' ' ' PHE . 17.6 mt -34.14 94.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 67' ' ' THR . 26.8 mt-10 -85.95 43.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -154.98 106.28 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 72' ' ' SER . 66.0 m -57.93 -54.64 44.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 71' ' ' SER . 1.4 t -35.47 -50.9 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.631 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 13.8 t-160 -60.82 -47.25 87.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.435 ' NH1' ' O ' ' A' ' 68' ' ' ILE . 50.6 mtm-85 -57.43 -43.17 83.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.814 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -58.19 -39.0 77.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 60.0 t -66.97 -51.77 51.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.535 ' CD1' ' NE2' ' A' ' 73' ' ' HIS . 97.3 mt -59.25 -60.7 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.0 mt -53.8 -61.67 2.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.5 m -43.68 -62.45 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -54.83 -41.44 70.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.608 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 4.7 mt -57.76 -32.43 67.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -69.72 -26.12 64.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 86' ' ' SER . 16.9 mtp180 -79.3 -55.89 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.431 HG21 ' N ' ' A' ' 85' ' ' ARG . 15.9 m -55.46 -41.62 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.431 ' N ' HG21 ' A' ' 84' ' ' VAL . 7.3 ptm180 -72.94 -42.89 62.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.421 ' N ' ' CG ' ' A' ' 85' ' ' ARG . 3.9 t -114.0 117.79 32.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -154.36 -70.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -8.46 23.66 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.345 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.4 t -61.86 174.35 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.9 m -101.86 164.5 11.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.473 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 t -53.18 140.44 26.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 110.858 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 t -157.67 172.53 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.25 -72.18 1.01 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 t -68.52 143.31 54.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 t -98.12 131.62 44.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.803 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.68 91.09 0.13 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.54 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -88.39 174.65 8.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 0.0 110.91 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.481 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 6.4 p80 -134.81 93.47 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.39 -49.27 0.36 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.546 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -63.92 -7.7 9.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.845 0.355 . . . . 0.0 110.921 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.465 ' N ' HD13 ' A' ' 11' ' ' LEU . 33.7 mt -55.32 -60.56 3.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.4 HG22 ' N ' ' A' ' 14' ' ' HIS . 21.3 m -54.39 -38.23 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.4 ' N ' HG22 ' A' ' 13' ' ' VAL . 24.0 t-80 -56.82 -57.59 11.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -77.02 128.63 34.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.28 140.12 7.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.457 ' HA ' ' CE2' ' A' ' 20' ' ' TRP . 91.1 t -66.44 -31.65 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.417 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -70.41 -0.16 7.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 4.5 mptp? -113.16 -2.41 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.457 ' CE2' ' HA ' ' A' ' 17' ' ' VAL . 40.7 m0 -67.68 168.9 10.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.6 p -122.21 166.23 14.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.454 ' CG2' ' HA ' ' A' ' 47' ' ' ARG . 1.1 m -48.1 -19.56 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -87.68 -55.24 3.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -60.05 -42.77 95.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.5 t -50.16 -51.58 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.2 t -68.24 -29.42 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.7 mt -65.67 -53.53 39.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -57.69 -38.44 75.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.502 HD23 ' CZ ' ' A' ' 43' ' ' PHE . 5.6 tp -75.62 -25.69 57.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -79.6 12.3 2.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -116.65 -23.65 8.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mt -66.49 -25.61 66.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.07 164.2 29.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -21.51 33.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.373 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.616 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 12.5 p-90 -71.32 -14.51 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.93 -38.78 73.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 t -60.79 -14.89 24.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.5 mt -83.15 -12.56 56.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.446 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 70.6 m-85 -119.16 -29.19 5.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' TYR . 7.8 ptm180 -38.42 -45.41 1.02 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -46.57 -48.26 19.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.1 mtt-85 -61.67 -40.88 96.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.502 ' CZ ' HD23 ' A' ' 29' ' ' LEU . 34.8 m-85 -59.48 -49.69 76.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.23 -56.07 13.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -51.97 -47.73 64.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -84.87 2.72 41.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.454 ' HA ' ' CG2' ' A' ' 22' ' ' THR . 0.0 OUTLIER 43.91 46.44 6.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.5 t -69.44 87.23 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -73.6 159.12 33.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.57 -56.11 3.05 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.458 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.85 -46.84 10.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.888 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.9 tp -72.12 -31.26 65.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.79 -44.06 97.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 77.3 mt -67.77 -46.63 71.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.2 p -55.45 -35.85 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.465 HD12 ' CZ ' ' A' ' 61' ' ' PHE . 28.4 mt -53.32 152.94 4.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.0 p -126.6 166.93 16.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -55.15 -20.37 10.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.59 -63.89 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -43.15 -45.41 5.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.465 ' CZ ' HD12 ' A' ' 56' ' ' LEU . 17.7 m-85 -55.01 -35.52 64.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -78.3 -26.92 47.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -82.49 168.63 17.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.497 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -73.32 159.75 84.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.717 . . . . 0.0 111.108 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.8 Cg_endo -69.69 -44.15 0.54 Allowed 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.355 -0.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.5 m-85 -32.06 -39.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.528 ' CG2' ' O ' ' A' ' 67' ' ' THR . 1.3 t 32.56 34.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.513 ' N ' ' O ' ' A' ' 66' ' ' TYR . 59.2 mt -51.14 93.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.085 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -78.59 -22.41 47.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -87.49 88.08 7.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 74' ' ' ARG . 55.1 m -40.16 -53.56 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 71' ' ' SER . 4.1 m -34.37 -42.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.646 ' CE1' ' CD1' ' A' ' 77' ' ' ILE . 57.3 t-80 -59.95 -47.67 84.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 71' ' ' SER . 16.3 mtm105 -61.05 -41.3 96.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.419 ' HD3' ' C ' ' A' ' 75' ' ' ARG . 3.6 tmt_? -58.95 -44.84 91.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.9 t -62.69 -49.59 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.646 ' CD1' ' CE1' ' A' ' 73' ' ' HIS . 57.6 mt -62.11 -62.06 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.0 mt -51.56 -54.64 25.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.6 m -55.65 -52.75 62.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -58.44 -36.63 73.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.461 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 4.2 tp -69.25 -33.73 73.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -63.12 -22.88 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -87.15 -55.27 3.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' A' ' 81' ' ' LEU . 13.8 m -55.45 -38.28 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.489 ' CG ' ' N ' ' A' ' 86' ' ' SER . 5.2 ptm180 -75.13 -47.47 28.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.489 ' N ' ' CG ' ' A' ' 85' ' ' ARG . 5.1 t -46.36 -65.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.57 -136.36 11.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 99.8 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.644 2.23 . . . . 0.0 112.382 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.3 m -156.51 141.05 16.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.8 t -77.25 -50.45 12.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.822 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.2 m 48.78 46.93 21.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 110.829 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 m -137.22 126.15 24.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.04 47.67 3.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.9 p -96.18 101.17 12.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 110.854 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m 52.11 28.91 5.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.908 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.18 99.11 1.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -117.14 167.75 10.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.448 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 27.9 p-80 -129.48 116.04 18.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.04 -32.07 2.39 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.494 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -78.51 -4.19 47.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.905 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.71 -57.58 12.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.453 HG21 ' N ' ' A' ' 14' ' ' HIS . 36.0 m -57.18 -37.77 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.453 ' N ' HG21 ' A' ' 13' ' ' VAL . 59.1 t-80 -62.89 -54.91 31.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -79.71 126.28 30.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.89 142.11 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.041 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.496 ' HA ' ' CE2' ' A' ' 20' ' ' TRP . 86.6 t -68.28 -31.64 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.439 ' OD1' ' CD ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -69.13 -1.3 7.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.439 ' CD ' ' OD1' ' A' ' 18' ' ' ASP . 3.9 mptp? -112.59 -5.06 14.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.496 ' CE2' ' HA ' ' A' ' 17' ' ' VAL . 41.2 m0 -64.54 166.55 8.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' GLU . 22.9 p -119.33 157.94 27.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -39.88 -25.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.1 tt0 -79.8 -57.84 3.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -58.78 -40.44 84.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 50' ' ' GLY . 55.5 t -51.37 -48.58 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.5 t -71.06 -32.94 49.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.8 mt -62.27 -53.85 49.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.467 ' NE1' HG11 ' A' ' 84' ' ' VAL . 24.1 t90 -56.5 -40.44 74.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.446 HD21 ' CE1' ' A' ' 43' ' ' PHE . 8.2 tp -74.64 -27.28 60.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -77.77 8.46 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -111.72 -27.94 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 mt -62.43 -25.14 67.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.92 165.38 30.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -23.84 30.67 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.337 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.634 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 13.2 p-90 -69.66 -15.44 63.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.414 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -55.43 -31.25 61.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.079 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 t -68.06 -9.72 48.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.9 mt -85.14 -11.4 55.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.641 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 74.5 m-85 -120.14 -31.54 4.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.434 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 6.8 ptm180 -37.02 -46.94 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.796 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.418 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -45.31 -46.56 12.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.423 ' NH1' ' HB3' ' A' ' 42' ' ' ARG . 1.7 mtp-105 -67.45 -39.14 85.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.446 ' CE1' HD21 ' A' ' 29' ' ' LEU . 35.0 m-85 -58.94 -42.97 91.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.434 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 3.2 mm? -74.11 -55.07 6.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -52.33 -45.06 65.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 47' ' ' ARG . 6.8 mm-40 -87.09 16.14 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 46' ' ' GLU . 11.1 mmt85 35.54 39.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 43.8 t -64.39 103.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -88.47 165.41 14.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.45 ' N ' ' CG2' ' A' ' 25' ' ' VAL . . . -48.12 -47.54 26.69 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.459 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.16 -39.89 66.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 0.0 110.815 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.3 tp -74.62 -37.28 62.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 tt -59.43 -37.45 78.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.5 mt -65.16 -51.81 58.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.9 p -51.54 -48.58 63.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.467 HD12 ' CE1' ' A' ' 61' ' ' PHE . 57.1 mt -44.77 139.25 3.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.957 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 66.2 p -122.77 -179.16 4.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -56.41 -17.96 9.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.5 tt0 -90.81 -64.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -40.26 -34.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 68' ' ' ILE . 14.8 m-85 -74.93 -37.38 62.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 59' ' ' GLU . 46.6 t -73.58 -25.29 60.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -102.16 165.15 11.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.503 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -58.8 159.98 11.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.515 0.674 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.5 Cg_endo -69.74 -46.27 0.37 Allowed 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.361 -0.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.419 ' HA ' ' NH1' ' A' ' 42' ' ' ARG . 2.7 m-85 -42.24 -43.16 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 69' ' ' GLU . 9.3 t 42.3 26.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.175 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 61' ' ' PHE . 52.3 mt -37.55 92.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 67' ' ' THR . 19.6 mt-10 -81.61 42.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -150.99 108.59 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 74' ' ' ARG . 74.8 m -57.98 -61.31 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 71' ' ' SER . 1.4 t -36.38 -45.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.641 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 57.9 t-80 -59.21 -47.58 84.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 71' ' ' SER . 71.0 mtm-85 -61.59 -44.39 97.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -55.87 -45.02 78.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.4 t -61.5 -48.22 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.552 ' CD1' ' CE1' ' A' ' 73' ' ' HIS . 76.7 mt -62.56 -60.19 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 23.7 mt -52.01 -62.99 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.1 m -45.04 -64.45 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -49.87 -45.63 50.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.461 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 7.6 tp -55.91 -41.13 74.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.17 -40.45 70.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.8 mtp85 -68.07 -63.42 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.467 HG11 ' NE1' ' A' ' 28' ' ' TRP . 5.8 m -45.26 -46.24 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.44 ' HG3' ' N ' ' A' ' 86' ' ' SER . 7.3 ptm180 -71.45 -43.93 65.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.44 ' N ' ' HG3' ' A' ' 85' ' ' ARG . 16.7 t -68.27 135.05 51.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -177.99 115.52 0.5 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 171.99 13.49 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.729 2.286 . . . . 0.0 112.309 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.6 m -71.23 125.82 27.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.3 t -72.85 -56.53 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 p -152.66 118.96 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.84 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -67.35 153.23 44.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.47 93.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 p -54.29 121.9 9.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 110.823 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -170.5 138.56 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.19 136.81 8.65 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -117.23 144.56 44.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.353 . . . . 0.0 110.929 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -118.09 102.26 8.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.41 -40.7 0.37 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.448 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.431 ' N ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -76.63 1.23 17.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.353 . . . . 0.0 110.919 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.2 mt -59.51 -55.57 32.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.9 m -56.71 -39.85 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -62.88 -57.09 12.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -71.71 123.11 21.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.55 134.42 19.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.063 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.507 ' HA ' ' CE2' ' A' ' 20' ' ' TRP . 81.7 t -59.12 -33.58 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.468 ' N ' HD11 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -67.02 -3.45 7.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 0.7 OUTLIER -112.99 -1.88 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.507 ' CE2' ' HA ' ' A' ' 17' ' ' VAL . 43.1 m0 -66.54 166.17 13.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 p -116.21 160.28 20.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -38.37 -34.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.88 -63.59 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -46.85 -42.92 18.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 53' ' ' LEU . 89.7 t -51.44 -47.93 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.139 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.46 ' CG2' HD21 ' A' ' 44' ' ' LEU . 97.9 t -70.82 -32.12 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.4 mt -62.45 -53.67 51.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.428 ' CH2' HD12 ' A' ' 81' ' ' LEU . 28.5 t90 -57.72 -40.86 80.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.477 ' CD2' ' CZ ' ' A' ' 43' ' ' PHE . 8.0 tp -74.9 -26.21 59.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -78.86 10.2 3.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.414 ' NE2' ' HA ' ' A' ' 28' ' ' TRP . 40.3 mt-30 -114.8 -28.31 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.465 ' HB3' ' CG1' ' A' ' 76' ' ' VAL . 7.1 mt -61.14 -24.06 66.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.68 166.32 32.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -25.08 29.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.71 2.273 . . . . 0.0 112.348 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.644 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 13.0 p-90 -68.17 -16.46 64.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 29' ' ' LEU . . . -60.28 -25.03 65.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.078 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.9 t -71.4 -14.01 62.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mt -85.53 -14.67 45.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.962 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 42' ' ' ARG . 20.1 m-85 -111.9 -28.95 7.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.452 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 14.2 ptt180 -34.99 -49.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.452 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 1.8 t70 -53.15 -44.23 67.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' TYR . 9.6 mtp85 -63.13 -31.2 72.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.477 ' CZ ' ' CD2' ' A' ' 29' ' ' LEU . 15.5 m-85 -70.4 -56.17 7.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.46 HD21 ' CG2' ' A' ' 26' ' ' VAL . 3.2 mm? -59.47 -55.29 36.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -50.56 -52.31 40.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -77.02 7.8 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 46.74 34.74 2.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.461 ' CG1' HD13 ' A' ' 52' ' ' LEU . 86.2 t -60.81 98.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 50' ' ' GLY . 24.2 p-10 -90.43 158.01 17.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.454 ' N ' HG22 ' A' ' 25' ' ' VAL . . . -34.14 -64.51 0.38 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -49.2 4.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.461 HD13 ' CG1' ' A' ' 48' ' ' VAL . 3.3 tm? -62.01 -49.36 76.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.465 ' CD1' HG11 ' A' ' 25' ' ' VAL . 1.2 tt -50.08 -42.47 50.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.468 HD11 ' N ' ' A' ' 18' ' ' ASP . 20.6 mt -62.37 -56.05 22.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.1 p -47.86 -34.99 9.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.451 HD11 ' CD1' ' A' ' 52' ' ' LEU . 55.7 mt -59.67 136.1 57.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.5 p -128.77 170.56 13.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -44.26 -26.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.75 -65.06 1.04 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -44.11 -50.6 8.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' A' ' 68' ' ' ILE . 23.5 m-85 -55.05 -33.82 63.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.4 t -72.59 -21.51 61.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 88.6 mtt-85 -98.56 162.42 13.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.843 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.486 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -65.3 161.43 50.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.615 0.722 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.5 Cg_endo -69.75 -44.78 0.47 Allowed 'Cis proline' 0 C--N 1.342 0.217 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.337 -0.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 68' ' ' ILE . 2.9 m-85 -39.09 -40.73 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.95 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' TYR . 8.6 t 37.05 28.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 66' ' ' TYR . 95.8 mt -41.25 107.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -100.4 -23.54 14.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 71' ' ' SER . 3.0 m-20 -77.84 94.58 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 70' ' ' ASN . 3.1 m -34.23 -56.9 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 71' ' ' SER . 73.8 m -36.54 -50.43 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.644 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 5.6 t-80 -53.03 -51.03 63.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -61.87 -49.58 75.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -55.94 -39.92 72.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 52.9 t -68.93 -62.79 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 84.6 mt -49.46 -60.9 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.1 mt -49.81 -64.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.5 m -45.41 -67.59 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -46.77 -44.12 18.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.428 HD12 ' CH2' ' A' ' 28' ' ' TRP . 12.8 tp -61.78 -31.92 72.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.411 ' HA ' ' NE ' ' A' ' 85' ' ' ARG . 6.3 tp10 -68.56 -16.23 63.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -94.58 -63.08 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.8 m -44.9 -33.29 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.076 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 86' ' ' SER . 10.3 ptp180 -75.75 -44.05 43.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.451 ' N ' ' HG3' ' A' ' 85' ' ' ARG . 9.6 t -61.82 -55.98 24.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 42.88 58.8 3.52 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.513 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 -48.3 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.331 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.6 t -129.43 170.14 14.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.8 t -77.0 -58.11 3.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 m -40.0 -46.78 2.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 110.88 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -74.87 137.08 41.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.94 139.34 14.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.472 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -85.91 -51.16 6.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.932 0.396 . . . . 0.0 110.889 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 t -70.85 -57.88 4.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.95 142.35 3.26 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -129.05 175.51 8.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 2.2 p80 -113.81 113.96 25.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.93 -45.95 0.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.483 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.514 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -65.43 -9.87 29.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.339 . . . . 0.0 110.919 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.9 mt -51.51 -54.64 25.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.8 m -60.07 -44.98 96.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -53.71 -42.63 68.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.42 ' HE2' ' C ' ' A' ' 19' ' ' LYS . 43.8 tttt -93.36 136.13 33.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.595 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -57.42 145.65 32.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.45 ' HA ' ' CE2' ' A' ' 20' ' ' TRP . 85.3 t -70.77 -33.82 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.162 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.418 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -68.55 -2.24 8.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.42 ' C ' ' HE2' ' A' ' 15' ' ' LYS . 1.9 mptp? -113.48 -2.89 13.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 41.4 m0 -66.47 173.34 3.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' GLU . 24.5 p -127.26 159.18 35.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.7 m -40.06 -25.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.3 tt0 -79.35 -58.83 3.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -59.66 -41.9 91.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.465 HG21 ' N ' ' A' ' 50' ' ' GLY . 94.7 t -50.31 -51.72 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 40' ' ' ARG . 91.8 t -68.75 -33.19 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.89 -53.91 49.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.564 ' CD1' HG11 ' A' ' 84' ' ' VAL . 24.5 t90 -56.39 -40.46 74.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.461 HD22 ' CE1' ' A' ' 43' ' ' PHE . 9.8 tp -75.03 -25.77 58.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -79.2 8.14 6.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -111.5 -29.51 7.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.426 ' HB3' ' CG1' ' A' ' 76' ' ' VAL . 5.6 mt -59.75 -25.51 64.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.77 165.02 29.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -21.96 32.49 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.618 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.6 p-90 -71.09 -14.56 62.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.417 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -55.67 -27.28 49.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.8 t -68.61 -9.77 51.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.3 mt -80.86 -23.51 39.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.769 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 49.3 m-85 -113.17 -36.49 5.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.472 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 7.8 ptm180 -33.98 -44.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.433 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 1.1 m-20 -49.98 -48.15 52.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' TYR . 1.7 mtp-105 -64.55 -38.32 90.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.461 ' CE1' HD22 ' A' ' 29' ' ' LEU . 61.7 m-85 -58.03 -42.59 85.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.466 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 3.0 mm? -72.43 -56.28 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -52.74 -46.03 67.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.82 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -82.59 9.15 10.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 43.32 35.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.466 ' CG1' HD22 ' A' ' 52' ' ' LEU . 89.9 t -62.63 103.53 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -90.16 173.63 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.465 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -48.19 -62.47 4.26 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.457 ' C ' ' HD2' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -37.21 -59.32 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.831 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.466 HD22 ' CG1' ' A' ' 48' ' ' VAL . 54.2 tp -55.75 -42.37 75.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.6 tp -57.33 -32.27 66.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.2 mt -76.33 -45.05 34.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.3 p -59.63 -46.15 89.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 61' ' ' PHE . 44.0 mt -45.78 130.17 9.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.4 p -106.88 172.88 6.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -56.89 -13.92 3.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -95.06 -58.07 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 28.6 mm-40 -46.02 -40.43 10.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 56' ' ' LEU . 11.5 m-85 -59.69 -34.38 72.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 74' ' ' ARG . 22.4 t -87.34 2.09 51.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -109.45 146.48 34.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.529 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -52.67 153.4 5.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.548 0.689 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.2 Cg_endo -69.81 -45.9 0.39 Allowed 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.306 0.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 68' ' ' ILE . 8.8 m-85 -35.2 -44.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 66' ' ' TYR . 13.2 t 32.39 37.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 66' ' ' TYR . 70.8 mt -45.47 92.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' THR . 17.8 mt-10 -81.21 41.97 0.63 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -152.51 107.47 3.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 74' ' ' ARG . 60.3 m -59.95 -58.73 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 71' ' ' SER . 44.9 m -35.58 -38.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.769 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 56.4 t-80 -68.33 -47.19 68.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 71' ' ' SER . 43.0 mtm180 -59.52 -41.82 90.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -49.74 75.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.426 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 59.5 t -57.02 -46.03 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.568 ' CD1' ' CE1' ' A' ' 73' ' ' HIS . 56.5 mt -64.5 -61.15 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.4 mt -52.11 -60.68 2.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 90.0 m -48.02 -58.38 4.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -55.09 -39.42 69.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.512 HD13 ' CH2' ' A' ' 28' ' ' TRP . 6.8 tp -61.03 -34.8 75.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -61.8 -31.94 72.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.41 ' HA ' ' CG ' ' A' ' 88' ' ' PRO . 32.0 mtp85 -76.54 -54.03 7.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.564 HG11 ' CD1' ' A' ' 28' ' ' TRP . 17.1 m -60.53 -35.99 66.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -84.08 -175.71 5.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.8 t -64.36 161.84 16.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 122.95 -90.01 0.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 89' ' ' SER . 53.9 Cg_endo -69.79 -0.24 6.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 88' ' ' PRO . 61.7 m -34.64 121.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.7 t -161.8 141.79 10.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.1 p -130.94 154.63 47.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.876 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 m -84.4 111.67 19.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.65 -110.85 2.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 t -41.73 105.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.895 0.379 . . . . 0.0 110.839 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -132.08 154.95 48.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.33 143.29 2.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -98.54 146.63 25.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.91 0.386 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.439 ' CD2' ' H ' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -124.21 99.89 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.46 -33.99 0.9 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.495 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -79.4 -8.68 59.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.907 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.433 ' N ' HD11 ' A' ' 11' ' ' LEU . 37.5 mt -49.74 -61.05 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.8 m -50.08 -40.77 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -58.75 -59.49 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -73.76 126.01 29.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.73 136.73 17.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.532 ' HA ' ' CD1' ' A' ' 20' ' ' TRP . 60.0 t -62.06 -34.65 64.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.184 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -5.43 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -111.47 -2.33 15.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.532 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 42.7 m0 -66.24 172.78 3.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' GLU . 22.6 p -127.96 159.27 35.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 m -40.96 -25.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.6 tt0 -80.37 -57.87 3.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.93 -43.22 91.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 38.2 t -47.45 -51.25 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.43 ' CG1' ' HB2' ' A' ' 40' ' ' ARG . 69.6 t -69.25 -35.52 68.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.4 mt -60.12 -51.89 67.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.448 ' NE1' HG12 ' A' ' 84' ' ' VAL . 27.1 t90 -57.23 -40.56 77.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.4 tp -75.17 -27.46 59.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -78.38 9.74 3.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -114.27 -22.99 9.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.4 mt -68.59 -26.2 65.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.88 165.6 31.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.49 29.59 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.349 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.635 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.7 p-90 -67.88 -16.46 64.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.441 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -55.08 -40.1 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.431 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 9.3 t -59.0 -14.22 8.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.1 mt -80.55 -14.87 57.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.493 ' CZ ' ' ND1' ' A' ' 73' ' ' HIS . 59.1 m-85 -118.96 -33.17 4.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.438 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 6.6 ptm180 -38.97 -41.56 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -52.81 -44.62 66.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.7 mtt-85 -64.65 -40.46 95.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -58.92 -54.91 41.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.438 ' CD2' ' O ' ' A' ' 40' ' ' ARG . 2.6 mm? -58.06 -57.16 14.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -53.08 -43.17 66.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -84.59 8.53 16.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 41.61 39.56 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.3 t -70.08 107.05 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -89.23 179.32 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.77 -63.14 4.98 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -43.35 -64.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.0 tp -46.64 -37.33 8.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 tt -64.19 -49.98 69.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.3 mt -62.02 -46.29 89.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.8 p -54.91 -41.24 70.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.525 HD12 ' CZ ' ' A' ' 61' ' ' PHE . 21.9 mt -52.83 157.4 1.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.8 p -118.51 168.67 10.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.146 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -61.39 -23.71 65.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.496 ' OE2' ' NE ' ' A' ' 63' ' ' ARG . 1.0 OUTLIER -83.0 -55.23 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -46.14 -45.66 16.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.525 ' CZ ' HD12 ' A' ' 56' ' ' LEU . 23.8 m-85 -56.56 -29.59 62.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.406 ' HB2' ' NE ' ' A' ' 74' ' ' ARG . 10.6 t -95.59 7.11 47.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.496 ' NE ' ' OE2' ' A' ' 59' ' ' GLU . 15.9 mmt180 -100.59 -78.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.537 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -177.62 152.99 0.95 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.531 0.682 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.7 Cg_endo -69.76 -40.48 1.1 Allowed 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.313 -0.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 68' ' ' ILE . 4.9 m-85 -35.13 -43.78 0.22 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 68' ' ' ILE . 11.5 t 38.06 26.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.567 HD11 ' CE1' ' A' ' 73' ' ' HIS . 97.5 mt -33.58 99.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -86.52 26.95 1.01 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -142.72 105.67 4.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 72' ' ' SER . 16.0 m -51.96 -55.67 18.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 71' ' ' SER . 3.2 m -34.52 -52.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.635 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 11.1 t-160 -56.97 -49.23 76.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.406 ' NE ' ' HB2' ' A' ' 62' ' ' SER . 54.5 mtm180 -56.63 -46.35 81.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.414 ' HD3' ' C ' ' A' ' 75' ' ' ARG . 2.4 tmt_? -54.39 -40.25 68.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.54 -50.48 78.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.78 -66.23 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -46.32 -61.79 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.3 m -47.57 -63.99 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -50.88 -35.33 32.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 tp -67.31 -37.44 83.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.33 -25.28 65.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -82.54 -64.63 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.448 HG12 ' NE1' ' A' ' 28' ' ' TRP . 9.7 m -44.62 -44.28 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.418 ' CG ' ' N ' ' A' ' 86' ' ' SER . 6.7 ptm180 -71.62 -43.07 66.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.418 ' N ' ' CG ' ' A' ' 85' ' ' ARG . 31.6 t -77.17 154.53 33.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.57 -96.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 136.04 31.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.7 p -103.66 134.39 47.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.8 t -147.43 140.92 25.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.4 m -141.93 160.73 39.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -92.13 149.95 21.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.91 -88.76 0.42 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.45 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 m 38.57 51.48 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.4 p -117.85 128.75 55.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.29 132.16 32.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' HIS . 17.0 tt0 -110.98 43.03 1.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.851 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.51 ' CG ' ' OE1' ' A' ' 31' ' ' GLN . 4.0 t60 -34.74 104.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.97 -57.28 0.38 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -73.8 1.4 10.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.832 0.349 . . . . 0.0 110.939 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 28' ' ' TRP . 2.6 mp -64.97 -60.63 2.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.7 m -44.52 -34.78 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -73.8 -65.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 16' ' ' ALA . 20.9 tttt -59.36 108.03 0.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' LYS . . . -35.17 137.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.062 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.47 ' CG2' HG22 ' A' ' 84' ' ' VAL . 97.1 t -60.97 -30.92 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' ' 18' ' ' ASP . 0.1 OUTLIER -65.28 -4.2 5.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -107.88 -4.62 17.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.469 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 36.7 m0 -68.71 165.61 19.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' GLU . 16.2 p -120.52 157.02 30.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' THR . 2.3 m -37.51 -27.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.0 tt0 -78.87 -61.89 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.3 -45.72 69.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.466 HG22 ' N ' ' A' ' 50' ' ' GLY . 91.0 t -45.35 -49.9 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.471 HG21 ' CD1' ' A' ' 44' ' ' LEU . 58.4 t -69.42 -37.56 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mt -58.95 -49.32 78.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.516 ' CZ3' HD21 ' A' ' 53' ' ' LEU . 25.1 t90 -58.17 -39.93 80.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.2 tp -76.4 -28.08 56.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -76.42 7.42 4.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.51 ' OE1' ' CG ' ' A' ' 9' ' ' HIS . 35.6 mt-30 -109.29 -29.68 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 mt -61.48 -26.97 68.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.83 165.58 31.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -23.63 30.47 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.671 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 12.1 p-90 -69.61 -15.24 63.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.406 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -56.75 -40.52 75.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.118 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 t -59.82 -14.59 15.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.7 mt -83.44 -11.47 57.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.599 ' CD1' ' NE2' ' A' ' 73' ' ' HIS . 39.7 m-85 -119.64 -33.78 3.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.446 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 9.7 ptm180 -36.34 -41.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -47.63 -47.49 29.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.8 mtm105 -58.64 -42.14 87.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -58.22 -58.66 7.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.471 ' CD1' HG21 ' A' ' 26' ' ' VAL . 1.1 mm? -55.69 -57.45 11.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -51.42 -46.23 62.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -86.6 9.43 18.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 41.11 40.24 1.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.7 t -66.09 102.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -83.77 166.35 18.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.466 ' N ' HG22 ' A' ' 25' ' ' VAL . . . -46.67 -59.36 5.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.78 -53.25 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.362 . . . . 0.0 110.881 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.2 tp -60.14 -39.11 85.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.516 HD21 ' CZ3' ' A' ' 28' ' ' TRP . 24.8 tp -56.73 -35.88 69.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.4 mt -69.01 -54.72 13.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.2 p -51.54 -32.87 29.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 61' ' ' PHE . 69.8 mt -61.02 129.33 40.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' GLU . 80.6 p -122.07 166.65 14.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -38.81 -26.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 57' ' ' THR . 1.3 tt0 -83.01 -66.71 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -41.61 -41.15 2.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 56' ' ' LEU . 55.1 m-85 -62.85 -38.23 89.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.4 p -77.52 4.54 10.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -112.16 148.61 33.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.499 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -62.58 159.77 40.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 111.097 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.3 Cg_endo -69.8 -28.61 6.18 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.32 0.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.493 ' O ' ' C ' ' A' ' 67' ' ' THR . 1.5 m-85 -46.48 -44.07 17.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.493 ' C ' ' O ' ' A' ' 66' ' ' TYR . 8.2 t 28.97 42.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 66' ' ' TYR . 20.6 mt -53.26 91.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -86.14 44.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -148.63 108.99 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 72' ' ' SER . 54.7 m -52.67 -60.9 2.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 71' ' ' SER . 11.7 t -35.69 -48.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.671 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 2.7 t-80 -54.54 -51.6 64.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.835 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 72.1 mtm-85 -63.83 -47.41 80.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -54.93 -41.85 71.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 58.1 t -73.08 -53.85 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.421 HD13 ' ND1' ' A' ' 73' ' ' HIS . 54.3 mt -54.58 -64.58 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 81' ' ' LEU . 10.1 mp -48.55 -68.84 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' LEU . 55.2 m -37.4 -61.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -56.71 -35.52 68.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 78' ' ' LEU . 8.3 tp -67.61 -38.26 83.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -60.72 -21.46 62.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.3 mtt-85 -88.31 -61.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.47 HG22 ' CG2' ' A' ' 17' ' ' VAL . 15.7 m -52.28 -32.72 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 86' ' ' SER . 11.3 ptm180 -75.73 -40.56 55.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.465 ' N ' ' HG3' ' A' ' 85' ' ' ARG . 1.1 m -77.93 173.32 12.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -128.22 146.36 16.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 89' ' ' SER . 53.3 Cg_endo -69.79 2.28 3.69 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 88' ' ' PRO . 11.3 p -35.79 138.28 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.6 t -130.48 163.63 26.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.802 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.538 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.6 p -140.25 172.61 12.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.899 0.38 . . . . 0.0 110.853 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -91.64 -56.03 3.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.817 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.49 -159.24 11.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 p -130.4 -54.56 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.839 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t 64.43 52.9 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.31 103.07 0.53 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.449 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 9' ' ' HIS . 44.8 mt-10 -110.19 105.9 15.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.914 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 8' ' ' GLU . 8.2 p80 -34.8 107.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.66 -38.57 0.76 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.461 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -73.33 1.81 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.926 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.448 ' N ' HD12 ' A' ' 11' ' ' LEU . 52.0 mt -68.86 -49.22 60.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.7 m -65.0 -24.0 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -82.85 -45.43 14.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.412 ' HD3' ' CD1' ' A' ' 20' ' ' TRP . 20.6 tttp -81.74 134.28 35.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.44 134.99 57.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.564 ' HA ' ' CD1' ' A' ' 20' ' ' TRP . 59.6 t -63.39 -33.45 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -64.13 -6.13 6.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -113.59 -1.16 14.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.564 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 43.2 m0 -65.94 162.97 18.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.1 p -113.3 156.98 22.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -37.89 -35.26 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -72.3 -59.44 2.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -52.15 -45.37 65.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.7 t -48.59 -50.53 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.44 HG23 ' CD2' ' A' ' 44' ' ' LEU . 90.0 t -69.04 -38.48 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.3 mt -58.08 -50.12 74.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.598 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 25.3 t90 -56.98 -41.14 77.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.421 ' HG ' ' CB ' ' A' ' 36' ' ' ALA . 11.3 tp -73.65 -26.94 61.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.951 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -76.73 7.42 4.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -112.31 -21.53 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 mt -72.6 -26.64 61.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.3 164.58 31.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -24.97 29.03 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.645 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 12.9 p-90 -66.75 -17.45 64.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.435 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -56.91 -30.82 64.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.6 t -68.76 -9.6 51.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.3 mt -88.31 -10.93 47.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 42' ' ' ARG . 23.1 m-85 -119.23 -23.61 6.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.427 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 14.1 ptt180 -38.81 -48.33 1.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 2.1 m-20 -53.24 -39.86 64.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' TYR . 9.2 mtp85 -67.89 -35.77 79.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -67.8 -52.59 35.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.44 ' CD2' HG23 ' A' ' 26' ' ' VAL . 3.4 mm? -62.01 -55.72 26.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 t -51.57 -49.55 61.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -76.42 6.87 5.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 48.29 32.87 3.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 80.3 t -61.36 97.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 50' ' ' GLY . 6.1 p-10 -91.96 162.64 14.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 49' ' ' ASN . . . -33.97 -67.14 0.25 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.58 -45.07 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.857 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -63.52 -49.76 72.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.2 tp -48.37 -37.52 16.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.5 mt -71.77 -52.72 16.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.1 p -51.74 -18.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.4 mt -74.13 145.18 44.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 59' ' ' GLU . 72.9 p -137.23 163.13 31.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 57' ' ' THR . 17.4 tt0 -34.4 -33.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 62' ' ' SER . 4.7 mt-10 -73.26 -75.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 59' ' ' GLU . 79.4 mm-40 -35.49 -40.17 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -62.66 -45.34 93.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.6 p -75.64 -9.6 58.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 49.7 mmm-85 -96.15 148.51 22.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.487 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -60.87 160.82 17.92 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.532 0.682 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.8 Cg_endo -69.77 -27.1 7.02 Favored 'Cis proline' 0 C--N 1.341 0.143 0 C-N-CA 122.717 -1.785 . . . . 0.0 112.33 0.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.498 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.5 m-85 -50.41 -42.09 53.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 66' ' ' TYR . 10.7 t 34.93 31.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.498 ' N ' ' O ' ' A' ' 66' ' ' TYR . 88.1 mt -43.65 105.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -98.81 -27.19 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 71' ' ' SER . 2.5 m-20 -76.76 92.26 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 74' ' ' ARG . 4.9 m -33.63 -54.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 71' ' ' SER . 1.3 t -36.15 -49.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.645 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 5.2 t-80 -56.32 -45.12 80.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 71' ' ' SER . 12.4 mtm180 -67.06 -47.22 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -59.43 -44.84 92.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.2 t -64.19 -59.13 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.531 HD12 ' CE1' ' A' ' 73' ' ' HIS . 68.9 mt -54.75 -59.19 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.2 mt -53.5 -68.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.3 m -38.47 -63.3 0.51 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -52.97 -47.49 68.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.598 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 6.0 mt -55.72 -31.45 62.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -74.31 -15.74 60.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -94.56 -55.11 3.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 12.4 m -51.38 -42.65 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 86' ' ' SER . 18.3 ptp180 -62.32 -46.28 89.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 85' ' ' ARG . 0.7 OUTLIER -38.51 -71.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.818 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 112.89 -102.2 1.27 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.461 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -17.81 37.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.6 m -69.49 -62.7 1.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.6 p -110.71 157.14 20.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.465 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 t -70.5 109.28 4.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.824 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 t -141.41 129.93 22.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.33 81.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -114.68 98.25 6.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.818 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.0 t -164.29 152.74 12.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.64 99.88 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -142.48 126.57 17.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.499 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 49.9 p-80 -56.3 104.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 12' ' ' LEU . . . 162.06 -80.69 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.534 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 12' ' ' LEU . 0.8 OUTLIER -35.72 -32.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.926 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.564 HD12 ' CH2' ' A' ' 20' ' ' TRP . 4.1 mm? -33.49 -61.6 0.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.8 m -63.97 -40.05 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -60.62 -69.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -63.5 136.53 57.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.73 134.44 54.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.05 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.507 ' HA ' ' CE2' ' A' ' 20' ' ' TRP . 79.7 t -62.99 -29.82 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.498 ' OD1' ' CD ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -69.39 -1.11 7.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.498 ' CD ' ' OD1' ' A' ' 18' ' ' ASP . 4.3 mptp? -113.44 -2.05 14.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.564 ' CH2' HD12 ' A' ' 12' ' ' LEU . 46.7 m0 -64.56 162.35 15.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.939 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 23' ' ' GLU . 20.7 p -117.46 157.01 27.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 21' ' ' THR . 1.8 m -37.74 -27.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.132 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 21' ' ' THR . 10.4 tt0 -78.64 -56.16 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -60.43 -43.26 96.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.846 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 50' ' ' GLY . 55.6 t -48.18 -50.0 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.3 t -71.25 -34.94 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.15 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 mt -59.9 -51.31 70.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.584 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 21.6 t90 -56.12 -40.26 73.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.415 ' HG ' ' CB ' ' A' ' 36' ' ' ALA . 9.2 tp -72.99 -26.8 61.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -76.11 5.88 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -108.66 -25.61 10.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.459 ' HB3' ' CG1' ' A' ' 76' ' ' VAL . 4.1 mt -67.85 -28.73 67.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.61 164.05 30.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -22.41 31.74 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.647 2.231 . . . . 0.0 112.34 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.665 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.8 p-90 -69.53 -15.55 63.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.43 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -54.76 -37.2 65.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 t -64.93 -12.43 49.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.9 mt -85.05 -15.53 43.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -116.37 -29.82 6.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -39.61 -36.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.41 -45.05 62.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 42' ' ' ARG . 14.9 mtm105 -68.62 -30.61 69.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -68.5 -50.64 50.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.12 -54.35 31.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -52.22 -43.63 64.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -86.17 4.99 36.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 45.32 39.16 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.0 t -63.4 99.2 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -88.71 162.02 16.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.424 ' N ' ' CG2' ' A' ' 25' ' ' VAL . . . -40.65 -61.48 1.86 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.45 -43.3 5.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 0.0 110.836 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.2 tp -70.76 -39.77 73.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.5 tp -55.9 -55.2 35.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 68.6 mt -49.35 -55.56 12.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.958 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.7 p -51.07 -45.9 61.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.6 mt -52.64 131.3 34.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 70.7 p -116.71 171.92 7.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -40.28 -42.69 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -65.08 -71.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 59' ' ' GLU . 10.2 mm-40 -34.95 -44.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -57.86 -45.01 86.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 59' ' ' GLU . 35.9 t -76.63 -7.87 56.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -96.8 145.94 25.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.506 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -58.27 158.96 12.52 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.529 0.681 . . . . 0.0 111.127 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.8 Cg_endo -69.75 -29.08 5.9 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.737 -1.776 . . . . 0.0 112.324 0.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.479 ' O ' ' C ' ' A' ' 67' ' ' THR . 1.2 m-85 -45.7 -44.54 13.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.479 ' C ' ' O ' ' A' ' 66' ' ' TYR . 13.6 t 30.69 41.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 66' ' ' TYR . 32.5 mt -50.64 89.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 67' ' ' THR . 20.0 mt-10 -79.55 44.32 0.61 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.95 114.06 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 72' ' ' SER . 10.7 t -60.45 -57.43 12.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 71' ' ' SER . 2.4 t -35.82 -42.01 0.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.665 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 29.9 t-80 -64.18 -49.63 71.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 62' ' ' SER . 46.7 mtm180 -62.98 -43.25 99.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -55.92 -48.04 76.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.459 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 53.3 t -64.61 -58.43 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.572 ' CD1' ' CE1' ' A' ' 73' ' ' HIS . 56.2 mt -50.01 -56.72 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 79' ' ' THR . 6.8 mp -59.55 -70.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 78' ' ' LEU . 73.4 m -34.19 -51.33 0.43 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.47 -45.59 86.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.584 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 4.6 mt -61.27 -30.56 70.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.45 -28.76 68.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -84.44 -63.15 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.8 m -42.47 -40.06 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.503 ' CG ' ' N ' ' A' ' 86' ' ' SER . 8.2 ptm180 -74.23 -48.54 28.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.503 ' N ' ' CG ' ' A' ' 85' ' ' ARG . 3.7 t -53.35 140.21 27.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 165.23 144.94 4.23 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.459 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 170.27 16.97 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.653 2.236 . . . . 0.0 112.349 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 34.7 m -78.08 138.68 38.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.0 t -94.41 -45.55 7.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.787 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -70.22 -6.85 37.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.879 0.371 . . . . 0.0 110.926 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.549 ' N ' HD13 ' A' ' 11' ' ' LEU . 3.9 mm? -46.24 -59.76 2.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.551 HG23 ' N ' ' A' ' 14' ' ' HIS . 24.1 m -63.93 -46.57 93.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.551 ' N ' HG23 ' A' ' 13' ' ' VAL . 78.3 m-70 -50.34 -31.58 14.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -102.48 124.3 47.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.93 136.88 6.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.868 HG21 HG23 ' A' ' 84' ' ' VAL . 66.3 t -67.76 -23.81 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.087 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.555 ' CG ' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -77.41 0.41 22.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -115.56 -3.1 12.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.648 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 41.7 m0 -64.44 168.58 5.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.54 ' O ' HG23 ' A' ' 25' ' ' VAL . 25.3 p -121.76 162.06 21.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.414 HG22 HD13 ' A' ' 44' ' ' LEU . 2.0 m -42.9 -23.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 21' ' ' THR . 6.6 tt0 -81.67 -61.46 1.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -55.18 -40.02 70.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.714 HG13 HD22 ' A' ' 53' ' ' LEU . 91.9 t -52.41 -46.05 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.686 HG21 ' CD2' ' A' ' 44' ' ' LEU . 88.1 t -75.57 -33.82 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.98 -49.2 75.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.587 ' CZ3' HD21 ' A' ' 53' ' ' LEU . 12.2 t90 -61.72 -39.35 91.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.48 HD22 ' CE2' ' A' ' 43' ' ' PHE . 6.7 tp -75.41 -24.62 57.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -78.79 5.92 10.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -108.24 -26.73 10.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.517 HD13 HG12 ' A' ' 76' ' ' VAL . 5.7 mt -62.95 -26.74 68.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.64 163.57 28.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -20.05 35.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.655 2.237 . . . . 0.0 112.341 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.609 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 11.5 p-90 -72.91 -13.54 61.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.96 -27.51 61.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 t -68.41 -14.8 63.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.3 mt -83.7 -13.18 54.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.59 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 65.8 m-85 -118.15 -30.24 5.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.441 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 10.7 ptm180 -40.62 -44.95 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.402 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -51.76 -40.36 60.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.5 mtt85 -72.12 -24.49 61.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.48 ' CE2' HD22 ' A' ' 29' ' ' LEU . 4.9 m-85 -76.73 -41.73 43.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.686 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.3 mm? -72.62 -54.62 8.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -52.35 -44.51 65.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.465 ' HB2' HG23 ' A' ' 48' ' ' VAL . 55.5 mm-40 -85.37 12.07 9.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 40.49 34.35 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.566 HG13 HD23 ' A' ' 52' ' ' LEU . 41.1 t -60.25 103.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -89.71 175.04 7.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -55.53 -57.95 16.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.691 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -46.11 -36.82 6.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.893 0.378 . . . . 0.0 110.884 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.566 HD23 HG13 ' A' ' 48' ' ' VAL . 29.0 tp -81.18 -33.12 33.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.714 HD22 HG13 ' A' ' 25' ' ' VAL . 53.8 tp -60.59 -37.06 80.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.555 ' CD1' ' CG ' ' A' ' 18' ' ' ASP . 96.9 mt -72.03 -41.15 67.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 51' ' ' ARG . 25.7 p -60.04 -40.15 88.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 53' ' ' LEU . 41.2 mt -55.79 126.79 27.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.6 p -110.66 171.79 7.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -40.9 -44.53 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 62' ' ' SER . 4.0 mt-10 -63.03 -67.81 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 59' ' ' GLU . 5.4 mm-40 -36.52 -46.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.9 ' HB3' HD12 ' A' ' 68' ' ' ILE . 18.1 m-85 -60.98 -42.11 97.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 59' ' ' GLU . 1.4 t -75.0 -13.9 60.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.7 mmm-85 -96.55 147.92 23.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.72 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -56.97 162.13 4.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.572 0.701 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.72 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.6 Cg_endo -69.75 -28.91 6.0 Favored 'Cis proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.354 -0.023 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 67' ' ' THR . 2.4 m-85 -48.46 -44.18 35.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 66' ' ' TYR . 14.5 t 33.43 37.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.138 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.9 HD12 ' HB3' ' A' ' 61' ' ' PHE . 75.7 mt -45.57 93.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' THR . 36.7 mt-10 -81.24 41.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -154.7 106.08 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 74' ' ' ARG . 19.9 m -53.11 -58.48 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.62 ' O ' HG23 ' A' ' 76' ' ' VAL . 7.8 t -36.93 -42.71 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.893 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.597 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 56.5 t-80 -60.61 -44.31 96.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' SER . 17.8 mtm105 -67.64 -39.78 84.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -36.09 79.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 72' ' ' SER . 93.7 t -69.31 -44.52 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 62.3 mt -69.03 -63.58 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.7 mt -46.8 -52.81 13.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.6 m -56.11 -67.86 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.481 ' HG3' HD13 ' A' ' 32' ' ' LEU . 28.7 mm-40 -45.94 -39.01 8.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.496 HD21 ' HA ' ' A' ' 54' ' ' LEU . 7.7 tp -61.8 -44.67 96.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -58.38 -17.7 22.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -88.16 -57.14 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.868 HG23 HG21 ' A' ' 17' ' ' VAL . 25.6 m -60.95 -31.77 50.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.894 HD13 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -52.88 -19.32 2.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.937 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.894 ' N ' HD13 ' A' ' 11' ' ' LEU . 12.2 mt -41.07 -67.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.598 HG23 ' N ' ' A' ' 14' ' ' HIS . 32.6 m -49.39 -49.64 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.598 ' N ' HG23 ' A' ' 13' ' ' VAL . 43.3 t-80 -49.27 -74.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -57.02 119.87 7.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.53 140.26 3.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.752 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 88.5 t -66.44 -29.39 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.434 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 1.0 OUTLIER -65.95 -4.54 7.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 2.2 mptm? -113.12 -2.27 14.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.752 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 42.4 m0 -66.92 163.55 19.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.467 ' O ' HG23 ' A' ' 25' ' ' VAL . 21.8 p -114.55 159.04 20.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.404 HG22 HD13 ' A' ' 44' ' ' LEU . 3.7 m -42.96 -27.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.136 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -78.58 -54.52 6.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -60.0 -41.2 91.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.83 HG13 HD22 ' A' ' 53' ' ' LEU . 96.1 t -51.73 -44.78 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.756 HG21 ' CD2' ' A' ' 44' ' ' LEU . 97.7 t -74.29 -32.95 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.62 -48.66 76.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.967 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.686 ' CZ3' HD21 ' A' ' 53' ' ' LEU . 11.0 t90 -61.76 -40.09 93.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.545 HD22 ' CE2' ' A' ' 43' ' ' PHE . 6.9 tp -73.55 -28.9 62.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.523 ' HA ' ' HB3' ' A' ' 36' ' ' ALA . 33.7 mt-10 -75.4 5.58 5.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -107.28 -27.32 10.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.49 HD13 HG12 ' A' ' 76' ' ' VAL . 4.1 mt -63.43 -23.75 67.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.55 164.74 29.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -21.66 33.23 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.494 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 13.3 p-90 -71.71 -14.22 61.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 30' ' ' GLU . . . -58.97 -20.45 52.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.5 t -77.15 -7.99 56.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.3 mt -89.79 -15.7 31.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.422 ' O ' ' N ' ' A' ' 42' ' ' ARG . 63.3 m-85 -113.84 -24.97 8.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.42 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 14.8 ptt85 -38.51 -46.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.42 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -53.04 -43.56 66.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 39' ' ' TYR . 36.8 mtt-85 -66.37 -26.41 67.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.545 ' CE2' HD22 ' A' ' 29' ' ' LEU . 3.5 m-85 -79.21 -47.95 15.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.756 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.3 mm? -66.3 -55.76 14.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 t -50.53 -47.22 57.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -82.27 17.17 1.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 38.85 34.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.093 HG13 HD12 ' A' ' 52' ' ' LEU . 47.3 t -55.38 104.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 50' ' ' GLY . 5.9 p30 -97.04 162.18 13.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 49' ' ' ASN . . . -34.23 -67.7 0.24 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.635 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -41.42 -48.73 3.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 110.899 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 1.093 HD12 HG13 ' A' ' 48' ' ' VAL . 3.0 tm? -59.24 -48.84 80.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.83 HD22 HG13 ' A' ' 25' ' ' VAL . 19.6 tp -49.52 -44.08 46.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.411 ' HA ' HD21 ' A' ' 81' ' ' LEU . 33.2 mt -68.64 -50.12 53.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 51' ' ' ARG . 66.7 p -51.18 -27.39 8.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.589 HD12 ' HA ' ' A' ' 53' ' ' LEU . 60.4 mt -67.99 129.69 40.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.2 p -118.33 172.25 7.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -51.52 -16.95 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.1 -59.22 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -47.0 -37.29 8.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.688 ' HB3' HD12 ' A' ' 68' ' ' ILE . 12.3 m-85 -64.26 -31.13 72.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.2 t -77.97 6.1 8.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -115.62 145.88 42.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.777 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -63.74 163.93 19.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.617 0.722 . . . . 0.0 111.081 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.777 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.3 Cg_endo -69.81 -16.62 12.28 Favored 'Cis proline' 0 C--O 1.232 0.179 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.316 0.06 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.506 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.8 m-85 -56.28 -46.78 79.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.762 ' O ' HG23 ' A' ' 67' ' ' THR . 1.9 t 30.59 38.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.688 HD12 ' HB3' ' A' ' 61' ' ' PHE . 73.1 mt -50.91 97.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -82.79 -21.57 34.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -85.97 90.88 8.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.5 m -38.85 -49.32 1.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.489 ' O ' HG23 ' A' ' 76' ' ' VAL . 75.5 m -39.71 -47.5 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.48 ' CE1' HD11 ' A' ' 77' ' ' ILE . 26.7 t-80 -55.4 -47.38 75.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.786 ' O ' HD12 ' A' ' 78' ' ' LEU . 32.8 mtm180 -62.25 -33.23 74.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -71.03 -40.32 71.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.494 HG11 ' HZ2' ' A' ' 35' ' ' TRP . 64.0 t -65.58 -60.63 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.48 HD11 ' CE1' ' A' ' 73' ' ' HIS . 72.2 mt -52.7 -58.83 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 74' ' ' ARG . 12.4 mt -51.75 -66.62 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 85.9 m -43.7 -58.04 2.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.481 ' CD ' HD22 ' A' ' 32' ' ' LEU . 9.3 mm-40 -54.39 -41.46 69.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 54' ' ' LEU . 5.9 tp -59.78 -37.77 80.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.472 ' CD ' ' C ' ' A' ' 82' ' ' GLU . 5.3 tm-20 -58.38 -33.42 69.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -74.39 -66.3 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.46 HG23 ' N ' ' A' ' 85' ' ' ARG . 15.4 m -44.31 -46.87 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.46 ' N ' HG23 ' A' ' 84' ' ' VAL . 5.0 ptm180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.823 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -67.03 -9.52 40.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.909 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.47 ' N ' HD13 ' A' ' 11' ' ' LEU . 95.9 mt -51.9 -56.77 12.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.432 HG23 ' N ' ' A' ' 14' ' ' HIS . 27.3 m -54.93 -41.75 59.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.432 ' N ' HG23 ' A' ' 13' ' ' VAL . 4.4 t-80 -61.4 -61.8 2.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -69.51 120.84 15.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.416 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . -42.11 137.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.804 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 74.3 t -69.45 -27.05 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.443 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -71.52 0.64 7.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 4.2 mptp? -114.38 -3.68 13.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.804 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 40.7 m0 -65.42 166.44 10.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.6 p -119.59 164.3 16.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -44.0 -26.09 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -80.01 -60.63 2.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.15 -42.76 69.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.68 HG13 HD22 ' A' ' 53' ' ' LEU . 58.6 t -49.37 -49.75 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.467 HG21 ' CD2' ' A' ' 44' ' ' LEU . 69.2 t -68.66 -36.09 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.6 mt -58.93 -52.9 63.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.595 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 32.5 t90 -56.09 -41.84 75.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.584 HD22 ' CE2' ' A' ' 43' ' ' PHE . 10.2 tp -74.59 -26.3 59.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -79.57 11.79 2.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -116.97 -24.56 7.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.566 HD13 HG12 ' A' ' 76' ' ' VAL . 7.5 mt -66.52 -26.03 66.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.8 165.77 32.24 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -24.14 30.12 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.62 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 10.2 p-90 -68.34 -15.15 63.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.433 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -56.83 -37.74 71.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 t -62.42 -13.16 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.3 mt -84.55 -12.49 54.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 40' ' ' ARG . 64.3 m-85 -118.67 -33.06 4.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.507 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 7.1 ptm180 -35.71 -51.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.507 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 51.4 m-20 -46.59 -44.24 17.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' TYR . 15.8 mtt85 -67.02 -33.9 76.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.584 ' CE2' HD22 ' A' ' 29' ' ' LEU . 3.8 m-85 -64.59 -48.08 76.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.503 HD22 ' O ' ' A' ' 40' ' ' ARG . 2.9 mm? -63.18 -54.88 30.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -53.91 -41.12 67.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.447 ' HG3' ' CE1' ' A' ' 66' ' ' TYR . 29.7 mm-40 -85.8 10.55 13.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 42.67 36.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.519 ' HA ' HD23 ' A' ' 52' ' ' LEU . 58.3 t -62.12 93.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -89.15 164.24 15.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.1 -61.08 1.78 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.453 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.417 ' O ' HG22 ' A' ' 55' ' ' THR . 0.0 OUTLIER -42.52 -48.99 5.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.519 HD23 ' HA ' ' A' ' 48' ' ' VAL . 16.6 tp -67.08 -37.65 84.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.68 HD22 HG13 ' A' ' 25' ' ' VAL . 14.9 tp -60.98 -16.33 41.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 52.0 mt -90.42 -51.04 5.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.517 HG23 HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -63.95 -25.3 68.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 53' ' ' LEU . 33.5 mt -60.46 134.65 57.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 58' ' ' GLU . 39.4 p -122.95 166.28 15.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 57' ' ' THR . 7.2 tt0 -36.19 -42.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.4 mp0 -57.55 -71.25 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 59' ' ' GLU . 6.0 mm-40 -37.79 -45.08 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.874 ' HB3' HD12 ' A' ' 68' ' ' ILE . 16.3 m-85 -61.99 -41.82 98.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.7 p -80.02 -7.75 59.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -98.23 148.01 24.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.726 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -60.15 162.35 10.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.56 0.695 . . . . 0.0 111.057 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.726 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 54.0 Cg_endo -69.7 -19.4 11.18 Favored 'Cis proline' 0 C--O 1.231 0.138 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.382 -0.059 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.454 ' O ' ' C ' ' A' ' 67' ' ' THR . 1.3 m-85 -56.72 -44.08 81.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 66' ' ' TYR . 14.7 t 33.24 38.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.874 HD12 ' HB3' ' A' ' 61' ' ' PHE . 95.9 mt -45.18 98.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.087 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -85.03 -12.09 53.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -98.32 86.88 3.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 72' ' ' SER . 62.0 m -38.45 -52.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 71' ' ' SER . 1.3 t -36.65 -44.49 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.897 ' NE2' HD11 ' A' ' 77' ' ' ILE . 12.4 t-160 -58.7 -52.95 63.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.406 ' HG3' HG21 ' A' ' 68' ' ' ILE . 9.3 mtm105 -56.32 -39.87 73.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -40.67 83.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.566 HG12 HD13 ' A' ' 32' ' ' LEU . 80.5 t -69.05 -48.6 68.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.897 HD11 ' NE2' ' A' ' 73' ' ' HIS . 93.6 mt -60.7 -66.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.6 mt -48.48 -61.57 1.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.8 m -43.65 -65.7 0.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -48.54 -44.25 36.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.595 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 3.3 mt -61.18 -31.73 71.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.82 -21.77 66.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -91.15 -59.34 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.526 HG22 ' HA ' ' A' ' 81' ' ' LEU . 18.8 m -47.62 -39.03 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.772 HD22 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -71.45 -1.22 12.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.888 0.375 . . . . 0.0 110.969 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.549 HD22 ' CH2' ' A' ' 20' ' ' TRP . 17.3 mt -61.77 -55.95 24.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.9 m -62.87 -28.01 44.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -69.91 -59.44 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -74.71 122.19 22.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.31 137.38 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.63 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 55.8 t -65.28 -33.38 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.497 ' OD1' ' CG ' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -69.29 -1.02 7.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -110.76 -1.49 16.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.63 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 41.0 m0 -68.66 174.54 4.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 25' ' ' VAL . 20.7 p -125.55 161.15 27.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.474 ' CG2' ' HA ' ' A' ' 47' ' ' ARG . 1.6 m -40.97 -26.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' THR . 10.9 tt0 -78.82 -63.51 1.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -50.02 -47.23 53.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.478 HG13 HD22 ' A' ' 53' ' ' LEU . 85.6 t -44.67 -48.43 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.662 HG21 ' CD2' ' A' ' 44' ' ' LEU . 97.5 t -71.92 -35.11 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.6 mt -60.26 -51.94 67.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.601 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 25.2 t90 -56.51 -41.31 76.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.537 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 10.0 tp -73.2 -26.68 61.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -76.58 6.71 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -109.79 -29.79 8.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.645 HD13 HG12 ' A' ' 76' ' ' VAL . 5.7 mt -61.92 -27.36 68.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.01 165.13 31.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -25.28 28.74 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.27 . . . . 0.0 112.347 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.454 ' CE3' ' N ' ' A' ' 36' ' ' ALA . 11.9 p-90 -67.31 -16.85 64.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.537 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -56.18 -31.04 63.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.8 t -68.26 -10.41 54.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.9 mt -86.71 -14.87 41.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.402 ' O ' ' N ' ' A' ' 42' ' ' ARG . 36.5 m-85 -116.95 -24.11 7.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 11.6 ptt85 -39.27 -45.73 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.425 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 7.6 t0 -51.23 -42.03 60.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 39' ' ' TYR . 71.1 mtt-85 -65.94 -29.94 70.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.472 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 7.6 m-85 -72.85 -48.21 39.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.662 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.1 mm? -66.49 -54.52 23.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -51.55 -45.87 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -87.28 8.94 21.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.474 ' HA ' ' CG2' ' A' ' 22' ' ' THR . 0.0 OUTLIER 39.43 45.73 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.582 ' HA ' HD23 ' A' ' 52' ' ' LEU . 43.5 t -67.14 95.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -78.49 157.18 28.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.421 ' N ' ' CG2' ' A' ' 25' ' ' VAL . . . -38.59 -58.55 1.74 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.471 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.497 ' CG ' ' OD1' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -45.44 -53.21 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.332 . . . . 0.0 110.84 -179.812 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.582 HD23 ' HA ' ' A' ' 48' ' ' VAL . 23.6 tp -58.07 -38.0 75.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.503 ' HA ' HD12 ' A' ' 56' ' ' LEU . 42.3 tp -59.45 -38.08 79.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.467 HD12 ' HB2' ' A' ' 18' ' ' ASP . 45.9 mt -65.88 -53.28 41.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.1 p -54.44 -41.35 69.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 53' ' ' LEU . 72.1 mt -51.61 140.19 19.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 58' ' ' GLU . 37.3 p -127.38 166.06 18.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' THR . 17.6 tt0 -35.8 -37.02 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -66.41 -73.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 59' ' ' GLU . 48.4 mm-40 -36.44 -41.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.609 ' CD2' HD21 ' A' ' 78' ' ' LEU . 35.0 m-85 -61.59 -46.28 90.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.9 p -77.6 -6.45 53.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -99.41 148.72 23.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.673 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -59.23 160.85 11.09 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.603 0.716 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.673 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.2 Cg_endo -69.78 -23.76 8.92 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.343 -0.005 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.508 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.4 m-85 -52.4 -42.91 64.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.773 ' O ' HG23 ' A' ' 67' ' ' THR . 1.7 t 30.08 38.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.179 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.588 HG21 ' HD2' ' A' ' 73' ' ' HIS . 37.4 mt -48.03 94.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -83.14 40.26 0.69 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -147.63 106.25 3.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 74' ' ' ARG . 32.1 m -54.84 -63.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.603 ' O ' HG23 ' A' ' 76' ' ' VAL . 34.9 m -34.6 -41.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.588 ' HD2' HG21 ' A' ' 68' ' ' ILE . 76.5 t60 -61.23 -50.6 72.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' SER . 9.7 mtm105 -61.67 -42.55 99.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.423 ' HD3' ' C ' ' A' ' 75' ' ' ARG . 4.2 tmt_? -55.71 -41.12 73.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.645 HG12 HD13 ' A' ' 32' ' ' LEU . 85.4 t -66.24 -49.2 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.52 HG22 HD12 ' A' ' 81' ' ' LEU . 91.8 mt -62.25 -62.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.609 HD21 ' CD2' ' A' ' 61' ' ' PHE . 4.4 mm? -50.8 -61.31 2.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.9 m -45.2 -67.5 0.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.171 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -46.55 -51.06 16.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.601 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 4.8 mt -53.52 -40.69 65.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -61.53 -25.0 67.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -84.01 -62.02 1.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 85' ' ' ARG . 17.0 m -45.3 -46.09 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.469 ' N ' HG23 ' A' ' 84' ' ' VAL . 10.1 ptm180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.794 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -67.35 -12.48 60.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.936 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.528 ' N ' HD22 ' A' ' 11' ' ' LEU . 18.6 mt -49.77 -59.85 3.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.6 m -55.81 -32.1 31.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -65.86 -48.06 72.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -87.93 142.93 27.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.588 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -56.64 147.09 23.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.689 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 83.2 t -76.66 -32.25 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.481 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -69.56 -1.35 8.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -114.65 -3.05 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.689 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 45.3 m0 -63.85 170.76 3.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.1 p -120.72 159.34 25.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.5 m -41.11 -28.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -77.72 -59.79 2.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -53.75 -42.48 68.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 1.028 HG13 HD12 ' A' ' 53' ' ' LEU . 43.2 t -49.03 -48.79 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.672 HG21 ' CD2' ' A' ' 44' ' ' LEU . 94.3 t -70.01 -36.37 68.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 27' ' ' LEU . 11.4 mt -58.34 -51.64 68.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.592 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 31.9 t90 -57.26 -43.23 82.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.498 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 11.0 tp -73.17 -28.03 61.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.464 ' HG3' HG12 ' A' ' 26' ' ' VAL . 15.4 mt-10 -77.27 8.2 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -112.42 -27.52 8.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.497 HD13 HG12 ' A' ' 76' ' ' VAL . 6.9 mt -64.08 -29.39 70.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.83 165.4 32.74 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -22.8 31.65 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.648 2.232 . . . . 0.0 112.372 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.565 ' CD2' ' CD2' ' A' ' 73' ' ' HIS . 17.5 p-90 -66.78 -17.09 64.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.498 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -57.09 -33.37 67.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.9 t -65.35 -8.92 20.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.5 mt -86.75 -16.24 36.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 40' ' ' ARG . 56.4 m-85 -117.8 -30.41 5.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 10.9 ptm180 -34.62 -50.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.479 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 15.3 m-20 -46.94 -47.08 21.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 39' ' ' TYR . 18.8 mtt-85 -64.19 -38.41 90.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.445 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 57.0 m-85 -62.01 -44.31 96.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.672 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.0 mm? -70.63 -56.05 7.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -51.88 -47.96 64.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.47 ' HB2' HG23 ' A' ' 48' ' ' VAL . 70.2 mm-40 -79.49 6.51 10.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.5 mmm-85 44.51 36.12 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.644 ' HA ' HD23 ' A' ' 52' ' ' LEU . 88.1 t -66.37 98.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.526 ' C ' HG21 ' A' ' 25' ' ' VAL . 24.1 p30 -88.14 172.4 9.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.467 ' N ' ' CG2' ' A' ' 25' ' ' VAL . . . -49.4 -60.35 6.36 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.558 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.33 -48.55 5.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.644 HD23 ' HA ' ' A' ' 48' ' ' VAL . 54.5 tp -71.29 -31.74 67.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.028 HD12 HG13 ' A' ' 25' ' ' VAL . 2.1 tt -65.08 -35.74 82.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 30.5 mt -68.68 -52.85 26.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 50.9 p -55.68 -46.1 77.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 53' ' ' LEU . 34.8 mt -42.24 145.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' GLU . 74.3 p -130.37 162.21 29.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' THR . 23.4 tt0 -34.45 -58.17 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.1 tt0 -43.38 -64.49 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -45.87 -42.51 12.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.623 ' HB3' HD12 ' A' ' 68' ' ' ILE . 10.3 m-85 -65.56 -28.08 68.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 59' ' ' GLU . 30.7 t -84.92 -6.11 59.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -106.45 148.2 28.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.788 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -59.67 164.81 5.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.597 0.713 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.788 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 54.2 Cg_endo -69.7 -16.8 12.05 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.391 -0.058 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 68' ' ' ILE . 0.6 OUTLIER -61.04 -44.37 97.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.952 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.772 ' O ' HG23 ' A' ' 67' ' ' THR . 2.4 t 29.31 40.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.165 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.623 HD12 ' HB3' ' A' ' 61' ' ' PHE . 56.3 mt -42.08 93.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' THR . 20.5 mt-10 -82.98 37.33 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -150.5 105.75 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.1 t -55.24 -48.6 73.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.555 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.7 t -40.47 -52.56 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.837 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.565 ' CD2' ' CD2' ' A' ' 35' ' ' TRP . 36.1 m170 -55.68 -56.7 17.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 46.9 mtm-85 -49.73 -40.76 41.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -65.19 -41.99 94.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 72' ' ' SER . 59.3 t -67.38 -46.5 83.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.508 ' O ' HD12 ' A' ' 81' ' ' LEU . 85.1 mt -65.42 -49.12 80.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.6 mt -66.05 -52.36 49.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.9 m -54.54 -55.35 30.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.417 ' OE2' HD22 ' A' ' 32' ' ' LEU . 5.5 mm-40 -55.95 -43.52 77.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.685 HD11 ' CD2' ' A' ' 53' ' ' LEU . 1.3 mt -60.78 -35.95 77.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -62.72 -23.24 67.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.0 mtt180 -88.07 -59.76 2.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' ' 81' ' ' LEU . 13.2 m -44.56 -42.32 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.837 HD13 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -50.14 -18.03 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.837 ' N ' HD13 ' A' ' 11' ' ' LEU . 18.8 mt -43.24 -59.83 1.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.4 m -59.21 -39.03 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -60.27 -68.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.8 tttt -66.64 119.86 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.455 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -42.3 148.32 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.55 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 92.1 t -73.17 -32.29 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.42 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 3.3 p-10 -66.64 -3.57 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -112.73 0.88 15.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.55 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 43.7 m0 -69.49 164.49 23.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 23' ' ' GLU . 21.7 p -116.6 158.04 24.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.466 HG22 HD13 ' A' ' 44' ' ' LEU . 1.3 m -38.75 -26.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 21' ' ' THR . 7.0 tt0 -79.4 -62.89 1.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -54.11 -39.39 66.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 1.015 HG13 HD12 ' A' ' 53' ' ' LEU . 54.3 t -53.75 -48.48 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.848 HG21 ' CD2' ' A' ' 44' ' ' LEU . 97.3 t -72.43 -31.71 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.8 mt -63.6 -53.28 54.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 18.6 t90 -57.16 -39.67 75.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.572 HD22 ' CZ ' ' A' ' 43' ' ' PHE . 8.5 tp -75.11 -24.85 58.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -79.81 12.28 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -116.34 -28.45 6.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.501 HD13 HG12 ' A' ' 76' ' ' VAL . 4.5 mt -61.08 -27.55 68.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.93 165.42 32.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.533 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -25.63 28.52 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.698 2.266 . . . . 0.0 112.359 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.544 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 11.1 p-90 -66.17 -17.49 64.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.479 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -53.91 -38.71 65.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.7 t -62.3 -9.94 9.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 mt -88.98 -12.65 40.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -117.57 -25.6 6.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.441 ' O ' HD23 ' A' ' 44' ' ' LEU . 11.8 ptt85 -40.18 -45.64 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 4.2 m-20 -51.16 -44.44 61.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 -67.83 -29.39 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.572 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 7.2 m-85 -72.89 -49.21 31.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.848 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.7 mm? -66.11 -54.38 26.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -51.38 -48.59 62.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -81.01 10.34 5.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.7 mmt85 44.53 34.29 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.994 HG13 HD12 ' A' ' 52' ' ' LEU . 59.0 t -55.87 101.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' GLY . 7.2 p30 -92.98 159.03 15.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.512 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -36.48 -63.82 0.66 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.566 ' O ' HG23 ' A' ' 55' ' ' THR . 3.7 tmt_? -44.2 -45.83 8.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 0.0 110.854 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.994 HD12 HG13 ' A' ' 48' ' ' VAL . 3.2 tm? -64.79 -49.17 71.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.015 HD12 HG13 ' A' ' 25' ' ' VAL . 2.1 tt -51.89 -38.72 57.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.42 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 17.3 mt -67.68 -54.46 19.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 51' ' ' ARG . 45.6 p -50.13 -30.32 10.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 53' ' ' LEU . 75.3 mt -63.11 132.89 53.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.1 p -116.71 168.28 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.471 ' HB2' HD21 ' A' ' 78' ' ' LEU . 26.6 tt0 -48.19 -19.62 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.9 -60.82 1.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -51.83 -28.65 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.95 ' HB3' HD12 ' A' ' 68' ' ' ILE . 27.1 m-85 -69.39 -27.19 65.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.9 t -88.0 2.7 51.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -101.4 147.15 26.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.546 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -61.19 154.77 60.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.557 0.694 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.9 Cg_endo -69.77 -31.09 4.77 Favored 'Cis proline' 0 C--O 1.231 0.166 0 C-N-CA 122.644 -1.815 . . . . 0.0 112.341 0.012 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.8 m-85 -39.62 -47.25 1.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 65' ' ' PRO . 12.7 t 33.31 34.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.95 HD12 ' HB3' ' A' ' 61' ' ' PHE . 78.2 mt -50.26 87.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 67' ' ' THR . 10.3 mt-10 -78.77 -24.98 44.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -87.19 92.46 9.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 72' ' ' SER . 23.2 t -38.5 -44.92 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.6 ' O ' HG23 ' A' ' 76' ' ' VAL . 22.9 t -34.93 -48.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.891 ' NE2' HD11 ' A' ' 77' ' ' ILE . 9.5 t-160 -55.64 -57.55 11.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -51.92 -48.31 64.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -53.42 -45.44 69.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 72' ' ' SER . 45.1 t -68.79 -59.63 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.891 HD11 ' NE2' ' A' ' 73' ' ' HIS . 60.7 mt -49.01 -64.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.471 HD21 ' HB2' ' A' ' 58' ' ' GLU . 11.1 mp -49.45 -70.94 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' LEU . 94.6 m -36.13 -62.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.439 ' O ' HG22 ' A' ' 84' ' ' VAL . 23.9 mm-40 -54.97 -38.42 67.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.48 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 7.5 tp -64.17 -41.7 97.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -56.87 -30.87 64.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -78.61 -64.93 1.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.48 ' CG2' ' HA ' ' A' ' 81' ' ' LEU . 4.1 m -43.29 -44.91 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.828 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -62.19 -10.8 11.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.899 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.716 HD12 ' CH2' ' A' ' 20' ' ' TRP . 4.3 mm? -57.68 -56.56 20.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 84' ' ' VAL . 5.3 m -68.49 -16.44 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -85.88 -27.88 24.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -107.61 123.63 48.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.59 135.78 6.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.655 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 87.7 t -63.61 -33.39 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.436 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -64.76 -5.39 5.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.436 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 3.8 mptp? -113.34 1.29 15.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.716 ' CH2' HD12 ' A' ' 12' ' ' LEU . 44.6 m0 -67.76 160.94 27.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.6 p -108.97 156.94 19.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.4 m -40.17 -29.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.173 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -77.78 -59.13 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -51.95 -41.85 62.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 1.037 HG13 HD12 ' A' ' 53' ' ' LEU . 35.8 t -51.75 -48.49 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.489 HG21 ' CD1' ' A' ' 44' ' ' LEU . 61.3 t -70.91 -37.27 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.0 mt -59.37 -50.56 73.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 29.9 t90 -59.33 -41.92 90.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.691 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 12.4 tp -73.55 -28.49 61.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -77.83 6.73 6.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -109.89 -25.81 10.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mt -66.2 -28.52 68.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.2 165.5 32.06 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -23.32 30.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.711 2.274 . . . . 0.0 112.324 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.42 ' CD2' ' CD2' ' A' ' 73' ' ' HIS . 20.7 p-90 -67.3 -17.0 64.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.691 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -59.06 -26.99 65.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.428 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 8.3 t -70.42 -10.25 58.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.1 mt -85.41 -11.47 54.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 40' ' ' ARG . 60.5 m-85 -124.17 -31.58 3.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.488 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 6.4 ptm180 -36.3 -51.62 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.488 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 10.7 m-20 -46.26 -44.44 16.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 39' ' ' TYR . 15.1 mtp85 -60.94 -37.91 84.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.427 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 58.4 m-85 -62.13 -57.94 9.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.489 ' CD1' HG21 ' A' ' 26' ' ' VAL . 1.1 mm? -55.24 -59.04 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 t -49.5 -53.47 23.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -78.24 4.24 13.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.8 mmm-85 44.86 43.32 6.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.596 ' HA ' HD23 ' A' ' 52' ' ' LEU . 89.3 t -74.03 92.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.534 ' C ' HG21 ' A' ' 25' ' ' VAL . 17.9 p-10 -77.6 174.94 10.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.479 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -52.42 -57.55 13.36 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -43.2 -37.62 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 0.0 110.869 -179.826 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.596 HD23 ' HA ' ' A' ' 48' ' ' VAL . 53.2 tp -81.73 -36.73 28.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.037 HD12 HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -60.47 -32.65 71.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.3 mt -72.39 -50.28 27.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 51' ' ' ARG . 29.5 p -54.47 -37.93 65.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 53' ' ' LEU . 47.3 mt -56.12 132.87 51.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 58' ' ' GLU . 65.2 p -112.82 161.98 16.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.195 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 57' ' ' THR . 18.1 tt0 -34.66 -44.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 62' ' ' SER . 0.4 OUTLIER -60.48 -71.04 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' GLU . 24.7 mm-40 -37.54 -40.46 0.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.738 ' HB3' HD12 ' A' ' 68' ' ' ILE . 50.9 m-85 -61.59 -42.42 98.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 59' ' ' GLU . 11.8 t -85.26 0.93 50.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -108.28 145.66 34.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.557 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -51.1 151.2 4.93 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.596 0.712 . . . . 0.0 111.094 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 54.2 Cg_endo -69.73 -42.81 0.69 Allowed 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.351 -0.01 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.498 ' O ' ' N ' ' A' ' 68' ' ' ILE . 2.4 m-85 -37.7 -43.15 0.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.779 ' O ' HG23 ' A' ' 67' ' ' THR . 1.8 t 30.66 37.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.131 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.738 HD12 ' HB3' ' A' ' 61' ' ' PHE . 68.5 mt -45.9 92.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 67' ' ' THR . 17.9 mt-10 -84.86 40.65 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.429 ' HB3' ' ND1' ' A' ' 73' ' ' HIS . 3.2 t-20 -148.45 107.73 3.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 72' ' ' SER . 59.7 m -56.07 -60.48 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.458 ' O ' HG23 ' A' ' 76' ' ' VAL . 22.5 m -34.29 -45.5 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.843 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.429 ' ND1' ' HB3' ' A' ' 70' ' ' ASN . 45.8 m170 -59.92 -56.08 26.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 62' ' ' SER . 54.7 mtm-85 -52.43 -44.87 65.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.4 ' O ' ' HD2' ' A' ' 75' ' ' ARG . 0.6 OUTLIER -54.96 -57.8 10.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 72' ' ' SER . 51.7 t -54.8 -56.21 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.499 HG22 ' N ' ' A' ' 78' ' ' LEU . 52.0 mt -51.23 -73.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.499 ' N ' HG22 ' A' ' 77' ' ' ILE . 3.6 mm? -41.69 -61.67 1.04 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.5 m -44.86 -62.17 1.32 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -50.19 -41.7 49.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.485 ' HA ' HG22 ' A' ' 84' ' ' VAL . 5.2 tp -61.78 -40.38 94.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -60.15 -17.48 40.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 30.0 mtt-85 -93.33 -58.25 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.485 HG22 ' HA ' ' A' ' 81' ' ' LEU . 6.8 m -53.55 -38.85 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.715 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -70.28 -3.69 18.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.914 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.483 ' N ' HD13 ' A' ' 11' ' ' LEU . 44.9 mt -72.61 -60.35 2.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 14' ' ' HIS . 20.8 m -55.34 -43.67 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.444 ' N ' HG23 ' A' ' 13' ' ' VAL . 8.2 t-80 -57.12 -44.27 83.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -88.13 141.03 28.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.65 136.54 56.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.55 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 87.1 t -62.69 -32.06 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.74 -3.86 7.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -115.21 6.71 15.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.55 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 41.0 m0 -77.17 168.59 19.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' GLU . 13.0 p -121.05 156.76 31.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 m -38.16 -28.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' THR . 14.0 tt0 -76.6 -57.68 3.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.55 -40.38 82.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.832 HG13 HD12 ' A' ' 53' ' ' LEU . 84.7 t -50.98 -48.22 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.636 HG21 ' CD2' ' A' ' 44' ' ' LEU . 97.6 t -70.93 -33.33 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.8 mt -61.53 -53.23 59.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.421 ' CH2' HG23 ' A' ' 77' ' ' ILE . 24.8 t90 -56.39 -40.34 74.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.51 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 8.8 tp -74.86 -26.65 59.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.95 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -77.77 8.99 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -111.85 -28.48 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.591 HD13 HG12 ' A' ' 76' ' ' VAL . 5.0 mt -63.08 -27.1 69.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.74 164.72 30.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -23.33 31.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.619 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.6 p-90 -68.97 -15.89 63.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.977 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.51 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -56.48 -38.93 72.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.106 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.7 t -61.18 -13.68 19.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.2 mt -85.44 -10.44 56.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -118.31 -25.85 6.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.408 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 12.0 ptt180 -39.61 -42.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.833 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -47.84 -43.71 28.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.547 HH22 HD11 ' A' ' 68' ' ' ILE . 15.8 mtm180 -63.03 -46.85 85.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' A' ' 29' ' ' LEU . 51.7 m-85 -58.71 -51.25 70.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.636 ' CD2' HG21 ' A' ' 26' ' ' VAL . 2.7 mm? -63.7 -56.76 13.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -53.06 -49.95 65.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -84.98 7.41 21.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 40.99 42.52 1.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.61 ' HA ' HD23 ' A' ' 52' ' ' LEU . 92.4 t -65.68 90.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -72.1 169.36 16.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.91 -53.96 27.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.49 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -48.31 -45.21 34.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.361 . . . . 0.0 110.847 -179.87 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.61 HD23 ' HA ' ' A' ' 48' ' ' VAL . 57.6 tp -70.46 -33.22 71.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.832 HD12 HG13 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -64.14 -43.68 94.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.8 mt -61.4 -54.11 47.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 51' ' ' ARG . 42.3 p -49.5 -43.26 45.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' A' ' 53' ' ' LEU . 39.9 mt -50.15 147.83 3.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' GLU . 62.0 p -131.04 164.91 24.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -42.92 -23.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -82.18 -59.32 2.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 8.0 mm-40 -53.02 -29.92 32.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.842 ' HB3' HD12 ' A' ' 68' ' ' ILE . 42.1 m-85 -69.26 -32.25 71.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.02 10.73 20.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -111.34 151.2 28.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.547 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -61.77 154.34 67.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.561 0.696 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.3 Cg_endo -69.78 -30.48 5.12 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.369 0.034 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 68' ' ' ILE . 2.7 m-85 -40.07 -45.69 2.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 65' ' ' PRO . 13.3 t 33.67 34.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.842 HD12 ' HB3' ' A' ' 61' ' ' PHE . 98.1 mt -46.45 92.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' THR . 13.9 mt-10 -85.77 26.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -140.52 105.08 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 72' ' ' SER . 47.8 m -50.28 -53.33 29.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.655 ' O ' HG23 ' A' ' 76' ' ' VAL . 39.0 m -34.55 -51.73 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.9 ' CE1' HD11 ' A' ' 77' ' ' ILE . 23.2 t-80 -51.39 -53.27 38.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 86.4 mtm-85 -60.44 -51.21 70.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.411 ' HD3' ' C ' ' A' ' 75' ' ' ARG . 3.9 tmt_? -49.21 -40.09 32.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 72' ' ' SER . 55.0 t -71.07 -68.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.9 HD11 ' CE1' ' A' ' 73' ' ' HIS . 81.4 mt -43.57 -59.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.665 HD11 ' CD2' ' A' ' 61' ' ' PHE . 9.1 mp -52.79 -69.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.0 m -38.37 -52.85 1.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -63.99 -36.62 84.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 78' ' ' LEU . 8.3 tp -61.72 -45.89 91.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -53.65 -36.03 61.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.0 mtp85 -71.45 -65.15 0.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.81 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 85' ' ' ARG . 12.3 m -43.94 -46.38 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.436 ' N ' HG23 ' A' ' 84' ' ' VAL . 8.1 ptm180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.425 ' O ' HG22 ' A' ' 13' ' ' VAL . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.914 HD13 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -54.04 -21.15 7.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.955 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.914 ' N ' HD13 ' A' ' 11' ' ' LEU . 20.9 mt -40.81 -58.2 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.537 HG23 ' N ' ' A' ' 14' ' ' HIS . 33.1 m -57.75 -46.15 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.537 ' N ' HG23 ' A' ' 13' ' ' VAL . 17.8 m-70 -51.99 -47.22 65.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -87.05 128.37 35.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.505 ' HB1' ' OD1' ' A' ' 18' ' ' ASP . . . -49.2 135.21 17.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.794 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 60.2 t -67.58 -28.66 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.505 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 3.2 p-10 -69.77 -1.52 9.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -115.16 -2.27 12.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.794 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 43.8 m0 -63.07 165.14 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 23' ' ' GLU . 19.7 p -119.18 155.37 31.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.427 HG22 HD13 ' A' ' 44' ' ' LEU . 7.2 m -37.04 -30.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 21' ' ' THR . 18.5 tt0 -75.85 -57.76 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -58.48 -40.08 81.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.559 HG13 HD22 ' A' ' 53' ' ' LEU . 41.9 t -52.06 -50.77 33.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.77 HG21 ' CD2' ' A' ' 44' ' ' LEU . 88.6 t -69.77 -34.19 59.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.5 mt -60.48 -51.49 69.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.591 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 21.9 t90 -56.18 -40.23 73.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.498 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 8.3 tp -73.23 -24.95 60.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -78.43 8.64 4.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -112.35 -24.23 9.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.575 HD13 HG12 ' A' ' 76' ' ' VAL . 5.0 mt -68.11 -28.12 67.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.17 162.88 28.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -18.56 37.02 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.332 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.642 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.0 p-90 -73.74 -13.16 60.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.498 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -56.92 -39.57 74.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.0 t -62.45 -10.29 11.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.2 mt -85.81 -13.63 47.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.449 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 13.5 m-85 -120.9 -27.77 4.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.442 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 7.3 ptm180 -39.52 -33.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.31 -45.39 80.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.426 ' NH1' ' HA ' ' A' ' 66' ' ' TYR . 14.4 mtm105 -66.87 -29.72 69.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -71.35 -51.88 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.77 ' CD2' HG21 ' A' ' 26' ' ' VAL . 2.9 mm? -62.88 -55.83 22.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -50.51 -48.83 56.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 47' ' ' ARG . 78.6 mm-40 -81.84 15.55 2.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 46' ' ' GLU . 29.1 mmm-85 34.99 43.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.71 ' HA ' HD23 ' A' ' 52' ' ' LEU . 61.1 t -68.34 106.13 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.432 ' C ' HG21 ' A' ' 25' ' ' VAL . 16.3 p-10 -93.23 170.97 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -50.71 -59.88 7.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.516 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.646 ' O ' HG23 ' A' ' 55' ' ' THR . 0.7 OUTLIER -44.38 -35.3 2.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.85 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.71 HD23 ' HA ' ' A' ' 48' ' ' VAL . 46.1 tp -81.13 -33.52 33.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.559 HD22 HG13 ' A' ' 25' ' ' VAL . 45.9 tp -63.94 -46.99 82.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 33.7 mt -58.27 -48.36 80.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 51' ' ' ARG . 41.6 p -55.45 -46.35 76.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 53' ' ' LEU . 65.4 mt -49.96 147.54 3.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.41 ' C ' ' N ' ' A' ' 59' ' ' GLU . 46.3 p -130.38 169.12 15.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -45.3 -21.43 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 57' ' ' THR . 0.5 OUTLIER -87.07 -63.51 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -42.35 -41.79 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.532 ' CD2' HD21 ' A' ' 78' ' ' LEU . 56.3 m-85 -60.54 -39.3 87.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.3 p -79.94 11.36 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.42 ' C ' ' H ' ' A' ' 67' ' ' THR . 7.3 mmm180 -115.12 148.14 39.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.538 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -58.83 154.68 35.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.568 0.699 . . . . 0.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.5 Cg_endo -69.78 -29.06 5.92 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.369 0.038 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.5 m-85 -42.55 -49.62 5.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 65' ' ' PRO . 13.7 t 33.18 36.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.54 HD13 ' ND1' ' A' ' 73' ' ' HIS . 18.5 mt -46.67 91.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' THR . 15.4 mt-10 -80.28 43.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -155.57 105.32 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 74' ' ' ARG . 62.6 m -56.12 -57.94 10.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.469 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.4 m -37.1 -40.91 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.642 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 55.6 t-80 -63.8 -42.79 97.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 71' ' ' SER . 37.1 mtm180 -67.87 -41.2 83.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -43.98 82.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.575 HG12 HD13 ' A' ' 32' ' ' LEU . 96.3 t -65.46 -42.8 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.514 HD11 ' CE1' ' A' ' 73' ' ' HIS . 56.3 mt -68.26 -62.82 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.532 HD21 ' CD2' ' A' ' 61' ' ' PHE . 3.9 mm? -50.93 -60.44 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.7 m -46.09 -59.64 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -54.75 -40.84 69.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.591 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 4.4 mt -65.81 -32.61 74.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -64.27 -26.02 68.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 52.4 mtt-85 -86.54 -58.26 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.572 HG22 ' HA ' ' A' ' 81' ' ' LEU . 28.6 m -47.18 -40.11 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.873 HD22 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -61.25 -14.31 25.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.82 ' N ' HD13 ' A' ' 11' ' ' LEU . 4.3 mm? -39.83 -56.03 1.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.525 HG23 ' N ' ' A' ' 14' ' ' HIS . 27.6 m -63.51 -47.36 91.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.525 ' N ' HG23 ' A' ' 13' ' ' VAL . 47.2 m170 -47.49 -36.32 10.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -103.72 126.02 50.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.599 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -46.12 150.88 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.669 HG21 HG23 ' A' ' 84' ' ' VAL . 92.0 t -75.96 -32.18 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.086 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.426 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 2.1 p-10 -70.06 -1.02 8.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -114.43 -2.87 13.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 43.8 m0 -64.86 161.16 18.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' GLU . 22.3 p -110.4 158.11 18.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.151 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.4 m -41.86 -23.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.142 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.7 tt0 -82.03 -55.81 4.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -56.28 -45.69 80.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.545 HG13 HD22 ' A' ' 53' ' ' LEU . 95.1 t -46.37 -47.7 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.704 HG21 ' CD2' ' A' ' 44' ' ' LEU . 61.8 t -71.05 -34.43 55.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.9 mt -62.38 -54.47 39.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.515 ' CZ3' HD21 ' A' ' 53' ' ' LEU . 27.5 t90 -56.83 -40.6 76.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.63 HD22 ' CZ ' ' A' ' 43' ' ' PHE . 10.9 tp -74.77 -27.78 60.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -77.42 6.63 6.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -110.14 -26.56 9.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.534 HD22 ' CD ' ' A' ' 80' ' ' GLU . 5.2 mt -65.01 -28.97 69.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.0 164.59 31.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -22.49 32.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.47 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 19.9 p-90 -68.21 -16.47 63.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.459 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -58.25 -32.57 68.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.073 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -65.15 -12.52 51.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 mt -86.48 -12.75 48.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -118.34 -19.18 9.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.447 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 12.7 ptt85 -47.67 -46.3 29.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.447 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 2.4 t70 -48.27 -42.33 30.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 65' ' ' PRO . 22.6 mtt-85 -69.82 -37.98 76.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.63 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 5.0 m-85 -62.03 -44.33 96.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.704 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.1 mm? -74.1 -55.26 6.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -50.65 -51.7 46.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.442 ' HB2' HG23 ' A' ' 48' ' ' VAL . 11.1 mm-40 -80.41 12.3 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 43.9 35.34 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.826 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.513 HG13 HD23 ' A' ' 52' ' ' LEU . 92.9 t -59.74 102.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.0 p30 -93.66 163.53 13.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.43 ' N ' ' CG2' ' A' ' 25' ' ' VAL . . . -40.87 -62.85 1.61 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.473 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -37.32 -51.6 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 110.862 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.513 HD23 HG13 ' A' ' 48' ' ' VAL . 42.9 tp -66.87 -39.67 87.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.632 ' HA ' HD12 ' A' ' 56' ' ' LEU . 16.6 tp -56.16 -37.94 70.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.449 ' HA ' HD21 ' A' ' 81' ' ' LEU . 48.2 mt -71.69 -50.3 31.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 51' ' ' ARG . 48.8 p -54.66 -44.4 73.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 53' ' ' LEU . 60.4 mt -44.24 142.81 1.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.939 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' GLU . 72.7 p -129.0 167.16 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' THR . 1.2 tm-20 -35.41 -46.02 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 62' ' ' SER . 4.7 mt-10 -62.56 -72.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' GLU . 32.6 mt-10 -35.91 -46.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.762 ' HB3' HD12 ' A' ' 68' ' ' ILE . 10.6 m-85 -61.37 -42.41 98.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 59' ' ' GLU . 29.8 t -79.54 -4.8 53.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -99.08 148.28 24.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.549 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -56.72 153.69 20.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.59 0.709 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.9 Cg_endo -69.74 -40.35 1.12 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.376 -0.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.501 ' O ' ' N ' ' A' ' 68' ' ' ILE . 0.6 OUTLIER -37.09 -45.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 66' ' ' TYR . 10.8 t 35.79 30.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.762 HD12 ' HB3' ' A' ' 61' ' ' PHE . 91.9 mt -41.45 107.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -100.3 -23.75 14.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 71' ' ' SER . 10.2 m-20 -78.78 84.85 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 72' ' ' SER . 15.3 t -34.34 -57.3 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.639 ' O ' HG23 ' A' ' 76' ' ' VAL . 36.3 m -34.59 -45.88 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.86 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -58.76 -55.97 28.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 74' ' ' ARG . 14.2 mtm105 -48.9 -45.33 41.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -44.7 95.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 72' ' ' SER . 58.7 t -63.29 -53.0 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.149 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.4 mt -58.24 -58.81 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.9 mt -54.74 -57.34 11.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.5 m -51.88 -54.54 28.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.534 ' CD ' HD22 ' A' ' 32' ' ' LEU . 9.6 mm-40 -56.66 -43.71 80.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.449 HD21 ' HA ' ' A' ' 54' ' ' LEU . 9.1 tp -59.63 -42.41 92.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -56.04 -21.89 24.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -86.73 -66.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.669 HG23 HG21 ' A' ' 17' ' ' VAL . 20.4 m -47.14 -30.96 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.746 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -74.65 -4.82 39.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 110.923 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.482 ' N ' HD13 ' A' ' 11' ' ' LEU . 21.4 mt -58.21 -44.74 88.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.7 m -70.66 -16.94 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -81.88 -39.41 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -95.33 126.77 40.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.508 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . -43.49 139.7 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.685 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 68.2 t -71.4 -33.07 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.481 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -70.35 -0.36 8.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.508 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 5.1 mptp? -113.58 -3.92 13.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.685 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 43.0 m0 -64.12 173.16 2.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' GLU . 24.6 p -124.45 155.99 37.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.5 m -39.72 -26.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 21' ' ' THR . 16.7 tt0 -78.66 -52.06 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -63.61 -40.37 96.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.3 t -49.93 -50.35 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.605 HG21 ' CD2' ' A' ' 44' ' ' LEU . 94.4 t -68.9 -32.94 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.407 ' HA ' HD23 ' A' ' 27' ' ' LEU . 11.5 mt -61.69 -51.99 66.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.599 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 25.6 t90 -57.74 -42.12 83.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.634 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 19.7 tp -73.18 -26.43 61.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.947 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -77.12 7.95 4.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -110.88 -30.02 7.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.671 HD13 HG12 ' A' ' 76' ' ' VAL . 5.7 mt -61.16 -26.63 67.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.04 163.8 28.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -21.04 33.94 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.492 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 12.0 p-90 -71.69 -14.54 62.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.634 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -59.24 -26.8 65.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 t -70.46 -11.6 61.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.2 mt -87.32 -10.89 51.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.556 ' CD1' ' CE1' ' A' ' 73' ' ' HIS . 76.0 m-85 -117.62 -27.72 6.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.439 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 13.8 ptt85 -37.54 -47.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.439 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 2.9 t70 -46.5 -44.55 17.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.435 ' CD ' ' HA ' ' A' ' 66' ' ' TYR . 45.3 mtt-85 -67.26 -28.04 67.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.632 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 48.7 m-85 -74.56 -45.12 47.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.605 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.0 mm? -71.74 -54.45 10.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -50.67 -49.55 56.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.41 ' HB2' HG23 ' A' ' 48' ' ' VAL . 80.0 mm-40 -83.34 9.34 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 42.29 39.17 1.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.604 ' HA ' HD23 ' A' ' 52' ' ' LEU . 93.2 t -63.37 96.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -85.87 168.33 14.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.41 -57.77 7.07 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 55' ' ' THR . 1.3 tmt_? -43.85 -42.82 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' A' ' 48' ' ' VAL . 58.5 tp -72.79 -40.42 65.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.647 ' HA ' HD12 ' A' ' 56' ' ' LEU . 33.0 tp -53.93 -41.23 67.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 55.0 mt -67.36 -49.22 64.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 51' ' ' ARG . 43.3 p -58.74 -22.15 57.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 53' ' ' LEU . 55.3 mt -72.42 133.26 44.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.6 p -110.82 169.55 8.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -52.57 -16.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.51 -57.79 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -46.86 -41.77 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.865 ' HB3' HD12 ' A' ' 68' ' ' ILE . 47.2 m-85 -60.01 -32.01 70.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.5 t -87.21 14.75 7.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -114.56 149.08 37.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.551 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -58.95 152.29 50.71 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.581 0.705 . . . . 0.0 111.097 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 54.4 Cg_endo -69.7 -31.62 4.42 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.397 -0.121 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.469 ' O ' ' N ' ' A' ' 68' ' ' ILE . 2.5 m-85 -38.28 -45.28 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 65' ' ' PRO . 13.3 t 33.29 35.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.865 HD12 ' HB3' ' A' ' 61' ' ' PHE . 53.0 mt -47.23 91.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.174 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 67' ' ' THR . 18.8 mt-10 -85.55 21.48 1.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -132.42 105.13 7.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 74' ' ' ARG . 1.8 m -53.81 -59.88 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.568 ' O ' HG23 ' A' ' 76' ' ' VAL . 52.0 m -36.06 -43.21 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.568 ' HD2' HD13 ' A' ' 68' ' ' ILE . 71.5 t60 -61.22 -45.54 94.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.775 ' HG3' HG21 ' A' ' 68' ' ' ILE . 46.4 mtm180 -62.91 -44.72 95.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -46.71 75.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.671 HG12 HD13 ' A' ' 32' ' ' LEU . 60.5 t -59.33 -47.27 91.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.497 HG22 HD12 ' A' ' 81' ' ' LEU . 76.5 mt -66.1 -61.59 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.519 HD21 ' CD2' ' A' ' 61' ' ' PHE . 4.5 mm? -52.56 -60.45 3.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 75.5 m -46.1 -61.47 1.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -54.22 -39.37 66.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.599 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 5.2 mt -64.7 -35.65 81.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -64.07 -28.9 70.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -81.9 -55.66 4.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.522 HG22 ' HA ' ' A' ' 81' ' ' LEU . 22.7 m -53.22 -36.9 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.949 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.774 HD22 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -87.26 1.88 51.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.888 0.375 . . . . 0.0 110.949 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.685 HD12 ' CZ2' ' A' ' 20' ' ' TRP . 4.4 mm? -62.52 -61.81 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.1 m -47.42 -32.86 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -78.15 -65.28 1.0 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -60.66 123.19 16.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB1' ' OD1' ' A' ' 18' ' ' ASP . . . -44.8 139.78 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.731 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 87.1 t -69.83 -32.04 50.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.492 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 5.1 p-10 -66.79 -3.87 7.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -113.04 -2.33 14.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.731 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 44.3 m0 -64.86 163.37 14.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' GLU . 24.1 p -119.65 154.71 33.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 21' ' ' THR . 1.4 m -37.25 -28.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 21' ' ' THR . 7.4 tt0 -76.92 -54.55 6.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.85 -41.84 98.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 1.015 HG13 HD12 ' A' ' 53' ' ' LEU . 47.8 t -47.88 -51.68 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.185 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.719 HG21 ' CD2' ' A' ' 44' ' ' LEU . 99.3 t -67.96 -34.67 68.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.03 -54.83 41.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.617 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 34.2 t90 -55.41 -42.57 74.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.467 HD22 ' CZ ' ' A' ' 43' ' ' PHE . 12.2 tp -73.1 -25.63 60.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -78.14 8.58 4.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -111.96 -30.45 7.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.671 HD13 HG12 ' A' ' 76' ' ' VAL . 6.6 mt -60.54 -29.48 69.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.45 165.27 32.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.458 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -25.55 28.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.631 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 9.7 p-90 -66.11 -17.47 64.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.492 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -52.96 -39.28 62.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.7 t -59.47 -11.81 5.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.6 mt -84.12 -18.71 35.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.467 ' CZ ' ' ND1' ' A' ' 73' ' ' HIS . 76.4 m-85 -113.19 -32.28 6.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.468 ' HB2' HG13 ' A' ' 26' ' ' VAL . 7.9 ptm180 -37.88 -46.64 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.446 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 31.3 m-20 -46.72 -44.28 18.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.8 mtt-85 -67.78 -37.3 81.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.467 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 73.5 m-85 -62.16 -43.82 97.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.719 ' CD2' HG21 ' A' ' 26' ' ' VAL . 2.9 mm? -70.77 -56.25 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -51.79 -44.56 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' ARG . 76.7 mm-40 -88.02 16.01 6.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' GLU . 32.0 mmt180 34.37 41.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.624 ' HA ' HD23 ' A' ' 52' ' ' LEU . 61.1 t -65.96 95.31 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -82.07 168.42 17.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -50.55 -56.11 14.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.455 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -49.31 -34.71 16.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.624 HD23 ' HA ' ' A' ' 48' ' ' VAL . 26.7 tp -80.92 -35.11 32.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.015 HD12 HG13 ' A' ' 25' ' ' VAL . 2.0 tt -62.16 -42.03 98.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.82 -45.71 92.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 51' ' ' ARG . 68.8 p -57.33 -42.93 82.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.155 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.525 HD13 ' CE1' ' A' ' 61' ' ' PHE . 70.1 mt -55.76 141.65 37.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.496 ' N ' ' OE2' ' A' ' 60' ' ' GLU . 30.6 p -124.01 -174.9 3.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.421 ' HB2' HD11 ' A' ' 78' ' ' LEU . 31.2 tt0 -60.84 -18.2 54.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -82.71 -55.78 4.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.496 ' OE2' ' N ' ' A' ' 57' ' ' THR . 1.6 mp0 -50.36 -52.25 38.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.899 ' HB3' HD12 ' A' ' 68' ' ' ILE . 22.4 m-85 -58.32 -28.32 64.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.1 t -77.88 -31.89 51.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.3 ptt85 -94.03 164.95 12.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.729 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -61.93 162.32 17.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.541 0.686 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.729 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.7 Cg_endo -69.81 -44.77 0.47 Allowed 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.298 0.059 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.589 ' O ' HG22 ' A' ' 67' ' ' THR . 3.6 m-85 -41.2 -48.88 3.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 66' ' ' TYR . 10.9 t 44.76 29.13 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.899 HD12 ' HB3' ' A' ' 61' ' ' PHE . 17.6 mt -34.14 94.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 67' ' ' THR . 26.8 mt-10 -85.95 43.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -154.98 106.28 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 72' ' ' SER . 66.0 m -57.93 -54.64 44.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.448 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.4 t -35.47 -50.9 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.923 ' NE2' HD11 ' A' ' 77' ' ' ILE . 13.8 t-160 -60.82 -47.25 87.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.435 ' NH1' ' O ' ' A' ' 68' ' ' ILE . 50.6 mtm-85 -57.43 -43.17 83.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.814 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -58.19 -39.0 77.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.671 HG12 HD13 ' A' ' 32' ' ' LEU . 60.0 t -66.97 -51.77 51.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.923 HD11 ' NE2' ' A' ' 73' ' ' HIS . 97.3 mt -59.25 -60.7 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.421 HD11 ' HB2' ' A' ' 58' ' ' GLU . 31.0 mt -53.8 -61.67 2.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.5 m -43.68 -62.45 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -54.83 -41.44 70.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.828 HD11 ' CD2' ' A' ' 53' ' ' LEU . 4.7 mt -57.76 -32.43 67.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -69.72 -26.12 64.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -79.3 -55.89 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.403 HG23 HG21 ' A' ' 17' ' ' VAL . 15.9 m -55.46 -41.62 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.951 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.878 HD22 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -63.92 -7.7 9.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.845 0.355 . . . . 0.0 110.921 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.621 ' N ' HD13 ' A' ' 11' ' ' LEU . 33.7 mt -55.32 -60.56 3.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.473 HG12 HG12 ' A' ' 84' ' ' VAL . 21.3 m -54.39 -38.23 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.401 ' N ' HG23 ' A' ' 13' ' ' VAL . 24.0 t-80 -56.82 -57.59 11.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -77.02 128.63 34.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.67 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . -48.28 140.12 7.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.526 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 91.1 t -66.44 -31.65 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -70.41 -0.16 7.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.67 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 4.5 mptp? -113.16 -2.41 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.526 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 40.7 m0 -67.68 168.9 10.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 25' ' ' VAL . 24.6 p -122.21 166.23 14.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 47' ' ' ARG . 1.1 m -48.1 -19.56 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -87.68 -55.24 3.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -60.05 -42.77 95.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.791 HG13 HD12 ' A' ' 53' ' ' LEU . 69.5 t -50.16 -51.58 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.675 HG21 ' CD2' ' A' ' 44' ' ' LEU . 95.2 t -68.24 -29.42 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.7 mt -65.67 -53.53 39.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -57.69 -38.44 75.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.454 HD22 ' CZ ' ' A' ' 43' ' ' PHE . 5.6 tp -75.62 -25.69 57.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -79.6 12.3 2.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -116.65 -23.65 8.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.683 HD13 ' HG3' ' A' ' 80' ' ' GLU . 4.4 mt -66.49 -25.61 66.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.07 164.2 29.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -21.51 33.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.373 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.632 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 12.5 p-90 -71.32 -14.51 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.434 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -56.93 -38.78 73.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 t -60.79 -14.89 24.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.5 mt -83.15 -12.56 56.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.457 ' CD1' ' CE1' ' A' ' 73' ' ' HIS . 70.6 m-85 -119.16 -29.19 5.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' TYR . 7.8 ptm180 -38.42 -45.41 1.02 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -46.57 -48.26 19.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.1 mtt-85 -61.67 -40.88 96.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.454 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 34.8 m-85 -59.48 -49.69 76.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.675 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.0 mm? -66.23 -56.07 13.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -51.97 -47.73 64.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -84.87 2.72 41.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.465 ' HA ' ' CG2' ' A' ' 22' ' ' THR . 0.0 OUTLIER 43.91 46.44 6.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.598 ' HA ' HD23 ' A' ' 52' ' ' LEU . 96.5 t -69.44 87.23 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -73.6 159.12 33.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.426 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -40.57 -56.11 3.05 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.458 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.623 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -44.85 -46.84 10.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.888 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.598 HD23 ' HA ' ' A' ' 48' ' ' VAL . 52.9 tp -72.12 -31.26 65.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.791 HD12 HG13 ' A' ' 25' ' ' VAL . 1.6 tt -61.79 -44.06 97.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.855 HD23 HD21 ' A' ' 81' ' ' LEU . 77.3 mt -67.77 -46.63 71.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 51' ' ' ARG . 55.2 p -55.45 -35.85 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 53' ' ' LEU . 28.4 mt -53.32 152.94 4.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.0 p -126.6 166.93 16.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -55.15 -20.37 10.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.59 -63.89 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -43.15 -45.41 5.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.552 ' HB3' HD12 ' A' ' 68' ' ' ILE . 17.7 m-85 -55.01 -35.52 64.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -78.3 -26.92 47.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -82.49 168.63 17.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.637 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -73.32 159.75 84.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.717 . . . . 0.0 111.108 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.637 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.8 Cg_endo -69.69 -44.15 0.54 Allowed 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.355 -0.067 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.5 m-85 -32.06 -39.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.769 ' O ' HG23 ' A' ' 67' ' ' THR . 1.3 t 32.56 34.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.552 HD12 ' HB3' ' A' ' 61' ' ' PHE . 59.2 mt -51.14 93.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.085 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -78.59 -22.41 47.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -87.49 88.08 7.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 74' ' ' ARG . 55.1 m -40.16 -53.56 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.492 ' O ' HG23 ' A' ' 76' ' ' VAL . 4.1 m -34.37 -42.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.514 ' HD2' HD13 ' A' ' 68' ' ' ILE . 75.8 t60 -59.95 -47.67 84.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 71' ' ' SER . 16.3 mtm105 -61.05 -41.3 96.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.415 ' HD3' ' C ' ' A' ' 75' ' ' ARG . 3.6 tmt_? -58.95 -44.84 91.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.632 HG11 ' HZ2' ' A' ' 35' ' ' TRP . 66.9 t -62.69 -49.59 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.466 HD11 ' NE2' ' A' ' 73' ' ' HIS . 57.6 mt -62.11 -62.06 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.0 mt -51.56 -54.64 25.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.6 m -55.65 -52.75 62.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.683 ' HG3' HD13 ' A' ' 32' ' ' LEU . 12.3 mm-40 -58.44 -36.63 73.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.855 HD21 HD23 ' A' ' 54' ' ' LEU . 4.2 tp -69.25 -33.73 73.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -63.12 -22.88 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -87.15 -55.27 3.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.544 HG22 ' HA ' ' A' ' 81' ' ' LEU . 13.8 m -55.45 -38.28 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.774 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -78.51 -4.19 47.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.905 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.71 -57.58 12.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -57.18 -37.77 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -62.89 -54.91 31.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -79.71 126.28 30.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.616 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . -46.89 142.11 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.041 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.666 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 86.6 t -68.28 -31.64 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.439 ' OD1' ' CD ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -69.13 -1.3 7.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.616 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 3.9 mptp? -112.59 -5.06 14.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.666 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 41.2 m0 -64.54 166.55 8.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' GLU . 22.9 p -119.33 157.94 27.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -39.88 -25.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.1 tt0 -79.8 -57.84 3.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -58.78 -40.44 84.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.852 HG13 HD12 ' A' ' 53' ' ' LEU . 55.5 t -51.37 -48.58 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.635 HG21 ' CD2' ' A' ' 44' ' ' LEU . 93.5 t -71.06 -32.94 49.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.8 mt -62.27 -53.85 49.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -56.5 -40.44 74.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.481 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 8.2 tp -74.64 -27.28 60.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -77.77 8.46 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -111.72 -27.94 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.472 HD13 HG12 ' A' ' 76' ' ' VAL . 5.3 mt -62.43 -25.14 67.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.92 165.38 30.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -23.84 30.67 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.337 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.634 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 13.2 p-90 -69.66 -15.44 63.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.481 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -55.43 -31.25 61.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.079 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 t -68.06 -9.72 48.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.9 mt -85.14 -11.4 55.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.641 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 74.5 m-85 -120.14 -31.54 4.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.434 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 6.8 ptm180 -37.02 -46.94 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.796 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -45.31 -46.56 12.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 42' ' ' ARG . 1.7 mtp-105 -67.45 -39.14 85.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.413 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 35.0 m-85 -58.94 -42.97 91.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.635 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.2 mm? -74.11 -55.07 6.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -52.33 -45.06 65.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 47' ' ' ARG . 6.8 mm-40 -87.09 16.14 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 46' ' ' GLU . 11.1 mmt85 35.54 39.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.515 HG13 HD23 ' A' ' 52' ' ' LEU . 43.8 t -64.39 103.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -88.47 165.41 14.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -48.12 -47.54 26.69 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.459 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.16 -39.89 66.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 0.0 110.815 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.515 HD23 HG13 ' A' ' 48' ' ' VAL . 24.3 tp -74.62 -37.28 62.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.852 HD12 HG13 ' A' ' 25' ' ' VAL . 2.7 tt -59.43 -37.45 78.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.642 HD23 HD21 ' A' ' 81' ' ' LEU . 33.5 mt -65.16 -51.81 58.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.9 p -51.54 -48.58 63.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.909 HD13 ' CE1' ' A' ' 61' ' ' PHE . 57.1 mt -44.77 139.25 3.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.957 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 66.2 p -122.77 -179.16 4.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -56.41 -17.96 9.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.5 tt0 -90.81 -64.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -40.26 -34.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.909 ' CE1' HD13 ' A' ' 56' ' ' LEU . 14.8 m-85 -74.93 -37.38 62.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 59' ' ' GLU . 46.6 t -73.58 -25.29 60.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -102.16 165.15 11.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.64 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -58.8 159.98 11.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.515 0.674 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.64 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.5 Cg_endo -69.74 -46.27 0.37 Allowed 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.361 -0.019 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.516 ' O ' HG22 ' A' ' 67' ' ' THR . 2.7 m-85 -42.24 -43.16 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 66' ' ' TYR . 9.3 t 42.3 26.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.175 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.728 HD12 ' HB3' ' A' ' 61' ' ' PHE . 52.3 mt -37.55 92.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 67' ' ' THR . 19.6 mt-10 -81.61 42.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -150.99 108.59 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 74' ' ' ARG . 74.8 m -57.98 -61.31 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.568 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.4 t -36.38 -45.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.767 ' CE1' HD11 ' A' ' 77' ' ' ILE . 57.9 t-80 -59.21 -47.58 84.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 71' ' ' SER . 71.0 mtm-85 -61.59 -44.39 97.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.401 ' HD3' ' C ' ' A' ' 75' ' ' ARG . 2.5 tmt_? -55.87 -45.02 78.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.589 HG11 ' HZ2' ' A' ' 35' ' ' TRP . 57.4 t -61.5 -48.22 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.767 HD11 ' CE1' ' A' ' 73' ' ' HIS . 76.7 mt -62.56 -60.19 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 23.7 mt -52.01 -62.99 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.1 m -45.04 -64.45 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -49.87 -45.63 50.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.642 HD21 HD23 ' A' ' 54' ' ' LEU . 7.6 tp -55.91 -41.13 74.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.17 -40.45 70.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.8 mtp85 -68.07 -63.42 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.473 ' CG2' ' HA ' ' A' ' 81' ' ' LEU . 5.8 m -45.26 -46.24 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.706 HD22 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -76.63 1.23 17.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.353 . . . . 0.0 110.919 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.408 ' N ' HD13 ' A' ' 11' ' ' LEU . 18.2 mt -59.51 -55.57 32.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 14' ' ' HIS . 35.9 m -56.71 -39.85 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.409 ' N ' HG23 ' A' ' 13' ' ' VAL . 13.2 m80 -62.88 -57.09 12.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.418 ' HE2' ' C ' ' A' ' 19' ' ' LYS . 55.9 tttt -71.71 123.11 21.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.55 134.42 19.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.063 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.615 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 81.7 t -59.12 -33.58 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.478 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -67.02 -3.45 7.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.437 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 0.7 OUTLIER -112.99 -1.88 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.615 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 43.1 m0 -66.54 166.17 13.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.483 ' O ' HG23 ' A' ' 25' ' ' VAL . 9.8 p -116.21 160.28 20.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -38.37 -34.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.88 -63.59 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -46.85 -42.92 18.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 1.072 HG13 HD12 ' A' ' 53' ' ' LEU . 89.7 t -51.44 -47.93 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.139 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.859 HG21 ' CD2' ' A' ' 44' ' ' LEU . 97.9 t -70.82 -32.12 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 27' ' ' LEU . 11.4 mt -62.45 -53.67 51.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.575 ' CD1' HG11 ' A' ' 84' ' ' VAL . 28.5 t90 -57.72 -40.86 80.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.927 HD22 ' CZ ' ' A' ' 43' ' ' PHE . 8.0 tp -74.9 -26.21 59.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.427 ' HA ' ' HB3' ' A' ' 36' ' ' ALA . 16.3 mt-10 -78.86 10.2 3.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -114.8 -28.31 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.602 HD22 ' CG ' ' A' ' 80' ' ' GLU . 7.1 mt -61.14 -24.06 66.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.68 166.32 32.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -25.08 29.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.71 2.273 . . . . 0.0 112.348 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.644 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 13.0 p-90 -68.17 -16.46 64.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 29' ' ' LEU . . . -60.28 -25.03 65.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.078 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.9 t -71.4 -14.01 62.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mt -85.53 -14.67 45.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.962 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 42' ' ' ARG . 20.1 m-85 -111.9 -28.95 7.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.452 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 14.2 ptt180 -34.99 -49.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.452 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 1.8 t70 -53.15 -44.23 67.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' TYR . 9.6 mtp85 -63.13 -31.2 72.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.927 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 15.5 m-85 -70.4 -56.17 7.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.859 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.2 mm? -59.47 -55.29 36.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -50.56 -52.31 40.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.409 ' HB2' HG23 ' A' ' 48' ' ' VAL . 25.4 mm-40 -77.02 7.8 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 46.74 34.74 2.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.96 HG13 HD12 ' A' ' 52' ' ' LEU . 86.2 t -60.81 98.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 50' ' ' GLY . 24.2 p-10 -90.43 158.01 17.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 49' ' ' ASN . . . -34.14 -64.51 0.38 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -49.2 4.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.96 HD12 HG13 ' A' ' 48' ' ' VAL . 3.3 tm? -62.01 -49.36 76.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.072 HD12 HG13 ' A' ' 25' ' ' VAL . 1.2 tt -50.08 -42.47 50.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 20.6 mt -62.37 -56.05 22.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.1 p -47.86 -34.99 9.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' ' 53' ' ' LEU . 55.7 mt -59.67 136.1 57.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.424 HG23 ' OE1' ' A' ' 60' ' ' GLU . 24.5 p -128.77 170.56 13.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.459 ' CB ' HD11 ' A' ' 78' ' ' LEU . 20.3 tt0 -44.26 -26.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.75 -65.06 1.04 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.424 ' OE1' HG23 ' A' ' 57' ' ' THR . 2.0 mp0 -44.11 -50.6 8.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.915 ' HB3' HD12 ' A' ' 68' ' ' ILE . 23.5 m-85 -55.05 -33.82 63.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.4 t -72.59 -21.51 61.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 88.6 mtt-85 -98.56 162.42 13.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.843 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.69 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -65.3 161.43 50.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.615 0.722 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.69 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.5 Cg_endo -69.75 -44.78 0.47 Allowed 'Cis proline' 0 C--N 1.342 0.217 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.337 -0.02 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 68' ' ' ILE . 2.9 m-85 -39.09 -40.73 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.95 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' TYR . 8.6 t 37.05 28.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.915 HD12 ' HB3' ' A' ' 61' ' ' PHE . 95.8 mt -41.25 107.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -100.4 -23.54 14.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 71' ' ' SER . 3.0 m-20 -77.84 94.58 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 70' ' ' ASN . 3.1 m -34.23 -56.9 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.844 ' O ' HG23 ' A' ' 76' ' ' VAL . 73.8 m -36.54 -50.43 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.644 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 5.6 t-80 -53.03 -51.03 63.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -61.87 -49.58 75.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -55.94 -39.92 72.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 72' ' ' SER . 52.9 t -68.93 -62.79 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.612 HD11 ' CE1' ' A' ' 73' ' ' HIS . 84.6 mt -49.46 -60.9 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.459 HD11 ' CB ' ' A' ' 58' ' ' GLU . 21.1 mt -49.81 -64.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.5 m -45.41 -67.59 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.602 ' CG ' HD22 ' A' ' 32' ' ' LEU . 32.2 mm-40 -46.77 -44.12 18.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.415 HD23 ' NH2' ' A' ' 85' ' ' ARG . 12.8 tp -61.78 -31.92 72.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.419 ' HA ' ' NE ' ' A' ' 85' ' ' ARG . 6.3 tp10 -68.56 -16.23 63.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -94.58 -63.08 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.575 HG11 ' CD1' ' A' ' 28' ' ' TRP . 6.8 m -44.9 -33.29 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.076 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 82' ' ' GLU . 10.3 ptp180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.788 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -65.43 -9.87 29.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.339 . . . . 0.0 110.919 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.423 ' N ' HD22 ' A' ' 11' ' ' LEU . 32.9 mt -51.51 -54.64 25.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.492 HG23 ' N ' ' A' ' 14' ' ' HIS . 35.8 m -60.07 -44.98 96.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.492 ' N ' HG23 ' A' ' 13' ' ' VAL . 69.9 m80 -53.71 -42.63 68.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.433 ' HE2' ' C ' ' A' ' 19' ' ' LYS . 43.8 tttt -93.36 136.13 33.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.595 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -57.42 145.65 32.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.475 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 85.3 t -70.77 -33.82 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.162 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.44 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -68.55 -2.24 8.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.44 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 1.9 mptp? -113.48 -2.89 13.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 41.4 m0 -66.47 173.34 3.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' GLU . 24.5 p -127.26 159.18 35.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.455 HG22 HD13 ' A' ' 44' ' ' LEU . 1.7 m -40.06 -25.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.3 tt0 -79.35 -58.83 3.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -59.66 -41.9 91.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.733 HG13 HD22 ' A' ' 53' ' ' LEU . 94.7 t -50.31 -51.72 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.636 HG21 ' CD2' ' A' ' 44' ' ' LEU . 91.8 t -68.75 -33.19 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 27' ' ' LEU . 12.0 mt -61.89 -53.91 49.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.577 ' CD1' HG11 ' A' ' 84' ' ' VAL . 24.5 t90 -56.39 -40.46 74.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.457 HD22 ' CZ ' ' A' ' 43' ' ' PHE . 9.8 tp -75.03 -25.77 58.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -79.2 8.14 6.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -111.5 -29.51 7.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.598 HD22 ' CD ' ' A' ' 80' ' ' GLU . 5.6 mt -59.75 -25.51 64.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.77 165.02 29.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -21.96 32.49 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.646 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 11.6 p-90 -71.09 -14.56 62.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.438 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -55.67 -27.28 49.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.8 t -68.61 -9.77 51.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.42 HD12 ' HB2' ' A' ' 35' ' ' TRP . 34.3 mt -80.86 -23.51 39.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.807 ' CD1' ' CE1' ' A' ' 73' ' ' HIS . 49.3 m-85 -113.17 -36.49 5.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.543 ' HB2' HG13 ' A' ' 26' ' ' VAL . 7.8 ptm180 -33.98 -44.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.436 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 1.1 m-20 -49.98 -48.15 52.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' TYR . 1.7 mtp-105 -64.55 -38.32 90.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.457 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 61.7 m-85 -58.03 -42.59 85.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.636 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.0 mm? -72.43 -56.28 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -52.74 -46.03 67.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.82 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.409 ' HB2' HG23 ' A' ' 48' ' ' VAL . 71.1 mm-40 -82.59 9.15 10.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 43.32 35.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.76 HG13 HD23 ' A' ' 52' ' ' LEU . 89.9 t -62.63 103.53 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.438 ' C ' HG21 ' A' ' 25' ' ' VAL . 12.0 p-10 -90.16 173.63 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.423 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -48.19 -62.47 4.26 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.448 ' C ' ' HD2' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -37.21 -59.32 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.831 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.76 HD23 HG13 ' A' ' 48' ' ' VAL . 54.2 tp -55.75 -42.37 75.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.733 HD22 HG13 ' A' ' 25' ' ' VAL . 40.6 tp -57.33 -32.27 66.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.2 mt -76.33 -45.05 34.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.3 p -59.63 -46.15 89.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.708 HD13 ' CE1' ' A' ' 61' ' ' PHE . 44.0 mt -45.78 130.17 9.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.4 p -106.88 172.88 6.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.401 ' HA ' HD11 ' A' ' 78' ' ' LEU . 11.9 tt0 -56.89 -13.92 3.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -95.06 -58.07 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 28.6 mm-40 -46.02 -40.43 10.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.708 ' CE1' HD13 ' A' ' 56' ' ' LEU . 11.5 m-85 -59.69 -34.38 72.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 74' ' ' ARG . 22.4 t -87.34 2.09 51.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -109.45 146.48 34.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.544 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -52.67 153.4 5.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.548 0.689 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.2 Cg_endo -69.81 -45.9 0.39 Allowed 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.306 0.07 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 68' ' ' ILE . 8.8 m-85 -35.2 -44.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 65' ' ' PRO . 13.2 t 32.39 37.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.697 HD12 ' HB3' ' A' ' 61' ' ' PHE . 70.8 mt -45.47 92.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' THR . 17.8 mt-10 -81.21 41.97 0.63 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -152.51 107.47 3.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 74' ' ' ARG . 60.3 m -59.95 -58.73 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.602 ' O ' HG23 ' A' ' 76' ' ' VAL . 44.9 m -35.58 -38.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.807 ' CE1' ' CD1' ' A' ' 39' ' ' TYR . 73.6 t60 -68.33 -47.19 68.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 71' ' ' SER . 43.0 mtm180 -59.52 -41.82 90.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -49.74 75.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.646 HG11 ' HZ2' ' A' ' 35' ' ' TRP . 59.5 t -57.02 -46.03 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.484 HD11 ' NE2' ' A' ' 73' ' ' HIS . 56.5 mt -64.5 -61.15 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.401 HD11 ' HA ' ' A' ' 58' ' ' GLU . 16.4 mt -52.11 -60.68 2.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 90.0 m -48.02 -58.38 4.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.598 ' CD ' HD22 ' A' ' 32' ' ' LEU . 21.9 mm-40 -55.09 -39.42 69.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.496 ' HA ' HG22 ' A' ' 84' ' ' VAL . 6.8 tp -61.03 -34.8 75.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -61.8 -31.94 72.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -76.54 -54.03 7.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.577 HG11 ' CD1' ' A' ' 28' ' ' TRP . 17.1 m -60.53 -35.99 66.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.772 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -79.4 -8.68 59.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.907 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.446 ' N ' HD13 ' A' ' 11' ' ' LEU . 37.5 mt -49.74 -61.05 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.418 HG23 ' N ' ' A' ' 14' ' ' HIS . 34.8 m -50.08 -40.77 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.418 ' N ' HG23 ' A' ' 13' ' ' VAL . 18.6 t-160 -58.75 -59.49 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.406 ' HE2' ' C ' ' A' ' 19' ' ' LYS . 64.3 tttt -73.76 126.01 29.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.498 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . -49.73 136.73 17.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.729 ' HB ' HD11 ' A' ' 54' ' ' LEU . 60.0 t -62.06 -34.65 64.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.184 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -5.43 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 1.5 mptm? -111.47 -2.33 15.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.575 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 42.7 m0 -66.24 172.78 3.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' GLU . 22.6 p -127.96 159.27 35.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 m -40.96 -25.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.6 tt0 -80.37 -57.87 3.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.93 -43.22 91.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.921 HG13 HD12 ' A' ' 53' ' ' LEU . 38.2 t -47.45 -51.25 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.712 HG21 ' CD2' ' A' ' 44' ' ' LEU . 69.6 t -69.25 -35.52 68.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.4 mt -60.12 -51.89 67.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.1 t90 -57.23 -40.56 77.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.462 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 9.4 tp -75.17 -27.46 59.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -78.38 9.74 3.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -114.27 -22.99 9.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.492 HD13 HG12 ' A' ' 76' ' ' VAL . 5.4 mt -68.59 -26.2 65.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.88 165.6 31.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.49 29.59 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.349 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.74 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 11.7 p-90 -67.88 -16.46 64.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.462 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -55.08 -40.1 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.442 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 9.3 t -59.0 -14.22 8.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.1 mt -80.55 -14.87 57.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.694 ' CZ ' ' CD2' ' A' ' 73' ' ' HIS . 59.1 m-85 -118.96 -33.17 4.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HB2' HG13 ' A' ' 26' ' ' VAL . 6.6 ptm180 -38.97 -41.56 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -52.81 -44.62 66.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.7 mtt-85 -64.65 -40.46 95.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -58.92 -54.91 41.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.712 ' CD2' HG21 ' A' ' 26' ' ' VAL . 2.6 mm? -58.06 -57.16 14.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -53.08 -43.17 66.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -84.59 8.53 16.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 41.61 39.56 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.63 ' HA ' HD23 ' A' ' 52' ' ' LEU . 44.3 t -70.08 107.05 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.484 ' C ' HG21 ' A' ' 25' ' ' VAL . 11.7 p30 -89.23 179.32 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.77 -63.14 4.98 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.428 ' O ' HG23 ' A' ' 55' ' ' THR . 2.6 tpt180 -43.35 -64.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.63 HD23 ' HA ' ' A' ' 48' ' ' VAL . 32.0 tp -46.64 -37.33 8.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.921 HD12 HG13 ' A' ' 25' ' ' VAL . 3.6 tt -64.19 -49.98 69.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.729 HD11 ' HB ' ' A' ' 17' ' ' VAL . 15.3 mt -62.02 -46.29 89.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 51' ' ' ARG . 43.8 p -54.91 -41.24 70.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.853 HD13 ' CE1' ' A' ' 61' ' ' PHE . 21.9 mt -52.83 157.4 1.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.8 p -118.51 168.67 10.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.146 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -61.39 -23.71 65.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.496 ' OE2' ' NE ' ' A' ' 63' ' ' ARG . 1.0 OUTLIER -83.0 -55.23 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -46.14 -45.66 16.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.866 ' HB3' HD12 ' A' ' 68' ' ' ILE . 23.8 m-85 -56.56 -29.59 62.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.423 ' HB2' ' NE ' ' A' ' 74' ' ' ARG . 10.6 t -95.59 7.11 47.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.496 ' NE ' ' OE2' ' A' ' 59' ' ' GLU . 15.9 mmt180 -100.59 -78.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.554 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -177.62 152.99 0.95 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.531 0.682 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.7 Cg_endo -69.76 -40.48 1.1 Allowed 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.313 -0.007 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.604 ' OH ' HG21 ' A' ' 48' ' ' VAL . 4.9 m-85 -35.13 -43.78 0.22 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 68' ' ' ILE . 11.5 t 38.06 26.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.866 HD12 ' HB3' ' A' ' 61' ' ' PHE . 97.5 mt -33.58 99.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -86.52 26.95 1.01 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.443 ' H ' HG22 ' A' ' 68' ' ' ILE . 3.0 t-20 -142.72 105.67 4.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 72' ' ' SER . 16.0 m -51.96 -55.67 18.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.479 ' O ' HG23 ' A' ' 76' ' ' VAL . 3.2 m -34.52 -52.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.694 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 3.2 t60 -56.97 -49.23 76.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.515 ' HG3' HG21 ' A' ' 68' ' ' ILE . 54.5 mtm180 -56.63 -46.35 81.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.408 ' HD3' ' C ' ' A' ' 75' ' ' ARG . 2.4 tmt_? -54.39 -40.25 68.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.74 HG11 ' HZ2' ' A' ' 35' ' ' TRP . 59.8 t -63.54 -50.48 78.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.654 HD11 ' CE1' ' A' ' 73' ' ' HIS . 62.1 mt -61.78 -66.23 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -46.32 -61.79 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.3 m -47.57 -63.99 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -50.88 -35.33 32.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.403 ' HA ' HG22 ' A' ' 84' ' ' VAL . 6.6 tp -67.31 -37.44 83.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.33 -25.28 65.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -82.54 -64.63 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.403 HG22 ' HA ' ' A' ' 81' ' ' LEU . 9.7 m -44.62 -44.28 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.844 HD22 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -73.8 1.4 10.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.832 0.349 . . . . 0.0 110.939 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 28' ' ' TRP . 2.6 mp -64.97 -60.63 2.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.7 m -44.52 -34.78 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -73.8 -65.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 16' ' ' ALA . 20.9 tttt -59.36 108.03 0.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' LYS . . . -35.17 137.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.062 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.558 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 97.1 t -60.97 -30.92 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.413 ' OD1' ' HD2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -65.28 -4.2 5.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.413 ' HD2' ' OD1' ' A' ' 18' ' ' ASP . 3.3 mptp? -107.88 -4.62 17.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.558 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 36.7 m0 -68.71 165.61 19.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' GLU . 16.2 p -120.52 157.02 30.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' THR . 2.3 m -37.51 -27.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.0 tt0 -78.87 -61.89 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.3 -45.72 69.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.658 HG13 HD22 ' A' ' 53' ' ' LEU . 91.0 t -45.35 -49.9 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.497 HG13 ' HB2' ' A' ' 40' ' ' ARG . 58.4 t -69.42 -37.56 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.0 mt -58.95 -49.32 78.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.572 ' CZ3' HD21 ' A' ' 53' ' ' LEU . 25.1 t90 -58.17 -39.93 80.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.509 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 8.2 tp -76.4 -28.08 56.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.423 ' HA ' ' HB3' ' A' ' 36' ' ' ALA . 8.5 mt-10 -76.42 7.42 4.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -109.29 -29.68 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.648 HD13 HG12 ' A' ' 76' ' ' VAL . 7.0 mt -61.48 -26.97 68.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.83 165.58 31.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -23.63 30.47 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.671 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 12.1 p-90 -69.61 -15.24 63.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.509 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -56.75 -40.52 75.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.118 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 t -59.82 -14.59 15.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.7 mt -83.44 -11.47 57.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.599 ' CD1' ' NE2' ' A' ' 73' ' ' HIS . 39.7 m-85 -119.64 -33.78 3.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.614 ' O ' HD22 ' A' ' 44' ' ' LEU . 9.7 ptm180 -36.34 -41.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -47.63 -47.49 29.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.8 mtm105 -58.64 -42.14 87.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.458 ' HD2' HG12 ' A' ' 25' ' ' VAL . 2.9 m-85 -58.22 -58.66 7.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.614 HD22 ' O ' ' A' ' 40' ' ' ARG . 1.1 mm? -55.69 -57.45 11.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -51.42 -46.23 62.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -86.6 9.43 18.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 41.11 40.24 1.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.677 HG13 HD23 ' A' ' 52' ' ' LEU . 84.7 t -66.09 102.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -83.77 166.35 18.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' A' ' 17' ' ' VAL . . . -46.67 -59.36 5.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.408 ' HG2' ' OD2' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -41.78 -53.25 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.362 . . . . 0.0 110.881 -179.853 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.677 HD23 HG13 ' A' ' 48' ' ' VAL . 51.2 tp -60.14 -39.11 85.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.71 ' HA ' HD12 ' A' ' 56' ' ' LEU . 24.8 tp -56.73 -35.88 69.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.4 mt -69.01 -54.72 13.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.2 p -51.54 -32.87 29.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 53' ' ' LEU . 69.8 mt -61.02 129.33 40.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' GLU . 80.6 p -122.07 166.65 14.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -38.81 -26.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 57' ' ' THR . 1.3 tt0 -83.01 -66.71 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -41.61 -41.15 2.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.551 ' CD2' HD11 ' A' ' 78' ' ' LEU . 55.1 m-85 -62.85 -38.23 89.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.4 p -77.52 4.54 10.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -112.16 148.61 33.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.642 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -62.58 159.77 40.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 111.097 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.642 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.3 Cg_endo -69.8 -28.61 6.18 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.32 0.045 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.493 ' O ' ' C ' ' A' ' 67' ' ' THR . 1.5 m-85 -46.48 -44.07 17.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.591 ' O ' HG23 ' A' ' 67' ' ' THR . 8.2 t 28.97 42.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.541 HD13 ' ND1' ' A' ' 73' ' ' HIS . 20.6 mt -53.26 91.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -86.14 44.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -148.63 108.99 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 72' ' ' SER . 54.7 m -52.67 -60.9 2.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.655 ' O ' HG23 ' A' ' 76' ' ' VAL . 11.7 t -35.69 -48.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.671 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 2.7 t-80 -54.54 -51.6 64.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.835 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 72.1 mtm-85 -63.83 -47.41 80.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -54.93 -41.85 71.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 72' ' ' SER . 58.1 t -73.08 -53.85 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.571 HD11 ' CE1' ' A' ' 73' ' ' HIS . 54.3 mt -54.58 -64.58 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.551 HD11 ' CD2' ' A' ' 61' ' ' PHE . 10.1 mp -48.55 -68.84 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' LEU . 55.2 m -37.4 -61.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.44 ' HG3' HD13 ' A' ' 32' ' ' LEU . 16.5 mm-40 -56.71 -35.52 68.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.453 ' HA ' HG22 ' A' ' 84' ' ' VAL . 8.3 tp -67.61 -38.26 83.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -60.72 -21.46 62.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.3 mtt-85 -88.31 -61.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.53 HG23 HG21 ' A' ' 17' ' ' VAL . 15.7 m -52.28 -32.72 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.813 HD22 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -73.33 1.81 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.926 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.48 ' N ' HD13 ' A' ' 11' ' ' LEU . 52.0 mt -68.86 -49.22 60.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.7 m -65.0 -24.0 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -82.85 -45.43 14.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.402 ' HD3' ' CD1' ' A' ' 20' ' ' TRP . 20.6 tttp -81.74 134.28 35.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.44 134.99 57.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.58 ' HA ' ' CD1' ' A' ' 20' ' ' TRP . 59.6 t -63.39 -33.45 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.42 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 2.0 p-10 -64.13 -6.13 6.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 4.6 mptp? -113.59 -1.16 14.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.58 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 43.2 m0 -65.94 162.97 18.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.1 p -113.3 156.98 22.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.489 HG22 HD13 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -37.89 -35.26 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -72.3 -59.44 2.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -52.15 -45.37 65.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.675 HG13 HD22 ' A' ' 53' ' ' LEU . 91.7 t -48.59 -50.53 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.918 HG21 ' CD2' ' A' ' 44' ' ' LEU . 90.0 t -69.04 -38.48 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.3 mt -58.08 -50.12 74.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.606 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 25.3 t90 -56.98 -41.14 77.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.59 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 11.3 tp -73.65 -26.94 61.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.951 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -76.73 7.42 4.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -112.31 -21.53 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.596 HD13 HG12 ' A' ' 76' ' ' VAL . 5.9 mt -72.6 -26.64 61.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.3 164.58 31.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -24.97 29.03 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.645 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 12.9 p-90 -66.75 -17.45 64.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.59 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -56.91 -30.82 64.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.6 t -68.76 -9.6 51.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.3 mt -88.31 -10.93 47.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 42' ' ' ARG . 23.1 m-85 -119.23 -23.61 6.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.427 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 14.1 ptt180 -38.81 -48.33 1.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 2.1 m-20 -53.24 -39.86 64.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' TYR . 9.2 mtp85 -67.89 -35.77 79.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.552 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 3.5 m-85 -67.8 -52.59 35.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.918 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.4 mm? -62.01 -55.72 26.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 t -51.57 -49.55 61.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.491 ' HB2' HG23 ' A' ' 48' ' ' VAL . 28.0 mm-40 -76.42 6.87 5.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 48.29 32.87 3.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.869 HG13 HD12 ' A' ' 52' ' ' LEU . 80.3 t -61.36 97.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 50' ' ' GLY . 6.1 p-10 -91.96 162.64 14.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 49' ' ' ASN . . . -33.97 -67.14 0.25 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.509 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -42.58 -45.07 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.857 -179.855 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.869 HD12 HG13 ' A' ' 48' ' ' VAL . 1.7 tm? -63.52 -49.76 72.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.77 ' HA ' HD12 ' A' ' 56' ' ' LEU . 18.2 tp -48.37 -37.52 16.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.5 mt -71.77 -52.72 16.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 51' ' ' ARG . 45.1 p -51.74 -18.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' ' 53' ' ' LEU . 65.4 mt -74.13 145.18 44.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 59' ' ' GLU . 72.9 p -137.23 163.13 31.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 57' ' ' THR . 17.4 tt0 -34.4 -33.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 62' ' ' SER . 4.7 mt-10 -73.26 -75.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 59' ' ' GLU . 79.4 mm-40 -35.49 -40.17 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.764 ' HB3' HD12 ' A' ' 68' ' ' ILE . 18.6 m-85 -62.66 -45.34 93.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.6 p -75.64 -9.6 58.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 49.7 mmm-85 -96.15 148.51 22.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.678 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -60.87 160.82 17.92 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.532 0.682 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.678 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.8 Cg_endo -69.77 -27.1 7.02 Favored 'Cis proline' 0 C--N 1.341 0.143 0 C-N-CA 122.717 -1.785 . . . . 0.0 112.33 0.021 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.498 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.5 m-85 -50.41 -42.09 53.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 66' ' ' TYR . 10.7 t 34.93 31.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.764 HD12 ' HB3' ' A' ' 61' ' ' PHE . 88.1 mt -43.65 105.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -98.81 -27.19 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 71' ' ' SER . 2.5 m-20 -76.76 92.26 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 74' ' ' ARG . 4.9 m -33.63 -54.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.643 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.3 t -36.15 -49.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.645 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 5.2 t-80 -56.32 -45.12 80.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 71' ' ' SER . 12.4 mtm180 -67.06 -47.22 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -59.43 -44.84 92.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 72' ' ' SER . 85.2 t -64.19 -59.13 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.615 HD11 ' CE1' ' A' ' 73' ' ' HIS . 68.9 mt -54.75 -59.19 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.2 mt -53.5 -68.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.3 m -38.47 -63.3 0.51 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -52.97 -47.49 68.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.606 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 6.0 mt -55.72 -31.45 62.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -74.31 -15.74 60.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -94.56 -55.11 3.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 12.4 m -51.38 -42.65 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 12' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 12' ' ' LEU . 0.8 OUTLIER -35.72 -32.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.926 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.512 HD12 ' CH2' ' A' ' 20' ' ' TRP . 4.1 mm? -33.49 -61.6 0.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 10' ' ' GLY . 15.8 m -63.97 -40.05 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -60.62 -69.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -63.5 136.53 57.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.591 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . -56.73 134.44 54.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.05 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.873 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 79.7 t -62.99 -29.82 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.498 ' OD1' ' CD ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -69.39 -1.11 7.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.591 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 4.3 mptp? -113.44 -2.05 14.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.873 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 46.7 m0 -64.56 162.35 15.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.939 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 23' ' ' GLU . 20.7 p -117.46 157.01 27.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.418 HG22 HD13 ' A' ' 44' ' ' LEU . 1.8 m -37.74 -27.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.132 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 21' ' ' THR . 10.4 tt0 -78.64 -56.16 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -60.43 -43.26 96.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.846 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 50' ' ' GLY . 55.6 t -48.18 -50.0 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.704 HG21 ' CD2' ' A' ' 44' ' ' LEU . 90.3 t -71.25 -34.94 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.15 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.6 mt -59.9 -51.31 70.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.59 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 21.6 t90 -56.12 -40.26 73.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.605 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 9.2 tp -72.99 -26.8 61.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -76.11 5.88 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -108.66 -25.61 10.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.664 HD13 HG12 ' A' ' 76' ' ' VAL . 4.1 mt -67.85 -28.73 67.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.61 164.05 30.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -22.41 31.74 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.647 2.231 . . . . 0.0 112.34 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.665 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.8 p-90 -69.53 -15.55 63.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.605 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -54.76 -37.2 65.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 t -64.93 -12.43 49.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.9 mt -85.05 -15.53 43.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -116.37 -29.82 6.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -39.61 -36.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.41 -45.05 62.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.427 ' HB2' ' NH1' ' A' ' 42' ' ' ARG . 14.9 mtm105 -68.62 -30.61 69.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -68.5 -50.64 50.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.704 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.1 mm? -65.12 -54.35 31.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -52.22 -43.63 64.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -86.17 4.99 36.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 45.32 39.16 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.552 ' HA ' HD23 ' A' ' 52' ' ' LEU . 35.0 t -63.4 99.2 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -88.71 162.02 16.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.424 ' N ' ' CG2' ' A' ' 25' ' ' VAL . . . -40.65 -61.48 1.86 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.46 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -43.45 -43.3 5.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 0.0 110.836 -179.867 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.552 HD23 ' HA ' ' A' ' 48' ' ' VAL . 13.2 tp -70.76 -39.77 73.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.558 ' CD2' HD21 ' A' ' 81' ' ' LEU . 51.5 tp -55.9 -55.2 35.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 68.6 mt -49.35 -55.56 12.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.958 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 51' ' ' ARG . 43.7 p -51.07 -45.9 61.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 53' ' ' LEU . 85.6 mt -52.64 131.3 34.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 70.7 p -116.71 171.92 7.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -40.28 -42.69 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -65.08 -71.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 59' ' ' GLU . 10.2 mm-40 -34.95 -44.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.517 ' HB3' HD12 ' A' ' 68' ' ' ILE . 30.7 m-85 -57.86 -45.01 86.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 59' ' ' GLU . 35.9 t -76.63 -7.87 56.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -96.8 145.94 25.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.613 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -58.27 158.96 12.52 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.529 0.681 . . . . 0.0 111.127 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.613 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.8 Cg_endo -69.75 -29.08 5.9 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.737 -1.776 . . . . 0.0 112.324 0.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.479 ' O ' ' C ' ' A' ' 67' ' ' THR . 1.2 m-85 -45.7 -44.54 13.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 67' ' ' THR . 13.6 t 30.69 41.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.624 HD13 ' ND1' ' A' ' 73' ' ' HIS . 32.5 mt -50.64 89.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 67' ' ' THR . 20.0 mt-10 -79.55 44.32 0.61 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.95 114.06 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 72' ' ' SER . 10.7 t -60.45 -57.43 12.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.673 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.4 t -35.82 -42.01 0.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.761 ' CE1' HD11 ' A' ' 77' ' ' ILE . 29.9 t-80 -64.18 -49.63 71.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 62' ' ' SER . 46.7 mtm180 -62.98 -43.25 99.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -55.92 -48.04 76.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 72' ' ' SER . 53.3 t -64.61 -58.43 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.761 HD11 ' CE1' ' A' ' 73' ' ' HIS . 56.2 mt -50.01 -56.72 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 79' ' ' THR . 6.8 mp -59.55 -70.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 78' ' ' LEU . 73.4 m -34.19 -51.33 0.43 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.456 ' OE2' HD22 ' A' ' 32' ' ' LEU . 6.3 mm-40 -64.47 -45.59 86.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.59 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 4.6 mt -61.27 -30.56 70.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.45 -28.76 68.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -84.44 -63.15 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.475 HG22 ' HA ' ' A' ' 81' ' ' LEU . 27.8 m -42.47 -40.06 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.963 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.3 p -91.69 42.21 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.379 . . . . 0.0 110.845 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 4' ' ' GLY . 69.4 m -94.99 105.01 16.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 38.09 -152.42 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.3 p -61.49 172.4 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.907 0.384 . . . . 0.0 110.838 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -68.68 105.79 2.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.22 143.4 4.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -131.21 140.78 49.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.488 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -87.15 86.27 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.06 -45.42 0.22 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.787 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -70.22 -6.85 37.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.879 0.371 . . . . 0.0 110.926 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.549 ' N ' HD13 ' A' ' 11' ' ' LEU . 3.9 mm? -46.24 -59.76 2.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.551 HG23 ' N ' ' A' ' 14' ' ' HIS . 24.1 m -63.93 -46.57 93.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.551 ' N ' HG23 ' A' ' 13' ' ' VAL . 78.3 m-70 -50.34 -31.58 14.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -102.48 124.3 47.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.93 136.88 6.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.868 HG21 HG23 ' A' ' 84' ' ' VAL . 66.3 t -67.76 -23.81 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.087 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.555 ' CG ' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -77.41 0.41 22.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -115.56 -3.1 12.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.648 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 41.7 m0 -64.44 168.58 5.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.54 ' O ' HG23 ' A' ' 25' ' ' VAL . 25.3 p -121.76 162.06 21.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.414 HG22 HD13 ' A' ' 44' ' ' LEU . 2.0 m -42.9 -23.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 21' ' ' THR . 6.6 tt0 -81.67 -61.46 1.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -55.18 -40.02 70.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.714 HG13 HD22 ' A' ' 53' ' ' LEU . 91.9 t -52.41 -46.05 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.686 HG21 ' CD2' ' A' ' 44' ' ' LEU . 88.1 t -75.57 -33.82 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.98 -49.2 75.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.587 ' CZ3' HD21 ' A' ' 53' ' ' LEU . 12.2 t90 -61.72 -39.35 91.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.48 HD22 ' CE2' ' A' ' 43' ' ' PHE . 6.7 tp -75.41 -24.62 57.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -78.79 5.92 10.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -108.24 -26.73 10.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.517 HD13 HG12 ' A' ' 76' ' ' VAL . 5.7 mt -62.95 -26.74 68.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.64 163.57 28.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -20.05 35.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.655 2.237 . . . . 0.0 112.341 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.609 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 11.5 p-90 -72.91 -13.54 61.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.96 -27.51 61.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 t -68.41 -14.8 63.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.3 mt -83.7 -13.18 54.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.59 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 65.8 m-85 -118.15 -30.24 5.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.441 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 10.7 ptm180 -40.62 -44.95 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.402 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -51.76 -40.36 60.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.5 mtt85 -72.12 -24.49 61.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.48 ' CE2' HD22 ' A' ' 29' ' ' LEU . 4.9 m-85 -76.73 -41.73 43.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.686 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.3 mm? -72.62 -54.62 8.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -52.35 -44.51 65.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.465 ' HB2' HG23 ' A' ' 48' ' ' VAL . 55.5 mm-40 -85.37 12.07 9.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 40.49 34.35 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.566 HG13 HD23 ' A' ' 52' ' ' LEU . 41.1 t -60.25 103.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -89.71 175.04 7.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -55.53 -57.95 16.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.691 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -46.11 -36.82 6.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.893 0.378 . . . . 0.0 110.884 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.566 HD23 HG13 ' A' ' 48' ' ' VAL . 29.0 tp -81.18 -33.12 33.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.714 HD22 HG13 ' A' ' 25' ' ' VAL . 53.8 tp -60.59 -37.06 80.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.555 ' CD1' ' CG ' ' A' ' 18' ' ' ASP . 96.9 mt -72.03 -41.15 67.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 51' ' ' ARG . 25.7 p -60.04 -40.15 88.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 53' ' ' LEU . 41.2 mt -55.79 126.79 27.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.6 p -110.66 171.79 7.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -40.9 -44.53 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 62' ' ' SER . 4.0 mt-10 -63.03 -67.81 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 59' ' ' GLU . 5.4 mm-40 -36.52 -46.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.9 ' HB3' HD12 ' A' ' 68' ' ' ILE . 18.1 m-85 -60.98 -42.11 97.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 59' ' ' GLU . 1.4 t -75.0 -13.9 60.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.7 mmm-85 -96.55 147.92 23.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.72 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -56.97 162.13 4.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.572 0.701 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.72 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.6 Cg_endo -69.75 -28.91 6.0 Favored 'Cis proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.354 -0.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 67' ' ' THR . 2.4 m-85 -48.46 -44.18 35.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 66' ' ' TYR . 14.5 t 33.43 37.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.138 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.9 HD12 ' HB3' ' A' ' 61' ' ' PHE . 75.7 mt -45.57 93.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' THR . 36.7 mt-10 -81.24 41.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -154.7 106.08 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 74' ' ' ARG . 19.9 m -53.11 -58.48 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.62 ' O ' HG23 ' A' ' 76' ' ' VAL . 7.8 t -36.93 -42.71 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.893 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.597 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 56.5 t-80 -60.61 -44.31 96.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' SER . 17.8 mtm105 -67.64 -39.78 84.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -36.09 79.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 72' ' ' SER . 93.7 t -69.31 -44.52 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 62.3 mt -69.03 -63.58 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.7 mt -46.8 -52.81 13.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.6 m -56.11 -67.86 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.481 ' HG3' HD13 ' A' ' 32' ' ' LEU . 28.7 mm-40 -45.94 -39.01 8.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.496 HD21 ' HA ' ' A' ' 54' ' ' LEU . 7.7 tp -61.8 -44.67 96.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -58.38 -17.7 22.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -88.16 -57.14 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.868 HG23 HG21 ' A' ' 17' ' ' VAL . 25.6 m -60.95 -31.77 50.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.411 ' CG ' ' N ' ' A' ' 86' ' ' SER . 17.5 ptt180 -77.53 -43.05 33.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.411 ' N ' ' CG ' ' A' ' 85' ' ' ARG . 10.6 t -92.58 113.28 25.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -95.11 -163.8 34.89 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 135.89 31.69 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.4 m -72.69 -58.53 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 t 62.19 54.38 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.539 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t -161.44 127.06 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 0.0 110.925 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 p 38.85 44.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.92 -54.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -55.41 -51.91 65.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -114.32 158.33 21.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.37 136.6 12.98 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -121.16 28.15 8.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.7 m170 54.49 54.02 9.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.19 -69.56 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.894 HD13 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -52.88 -19.32 2.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.937 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.894 ' N ' HD13 ' A' ' 11' ' ' LEU . 12.2 mt -41.07 -67.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.598 HG23 ' N ' ' A' ' 14' ' ' HIS . 32.6 m -49.39 -49.64 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.598 ' N ' HG23 ' A' ' 13' ' ' VAL . 43.3 t-80 -49.27 -74.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -57.02 119.87 7.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.53 140.26 3.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.752 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 88.5 t -66.44 -29.39 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.434 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 1.0 OUTLIER -65.95 -4.54 7.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 2.2 mptm? -113.12 -2.27 14.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.752 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 42.4 m0 -66.92 163.55 19.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.467 ' O ' HG23 ' A' ' 25' ' ' VAL . 21.8 p -114.55 159.04 20.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.404 HG22 HD13 ' A' ' 44' ' ' LEU . 3.7 m -42.96 -27.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.136 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -78.58 -54.52 6.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -60.0 -41.2 91.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.83 HG13 HD22 ' A' ' 53' ' ' LEU . 96.1 t -51.73 -44.78 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.756 HG21 ' CD2' ' A' ' 44' ' ' LEU . 97.7 t -74.29 -32.95 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.62 -48.66 76.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.967 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.686 ' CZ3' HD21 ' A' ' 53' ' ' LEU . 11.0 t90 -61.76 -40.09 93.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.545 HD22 ' CE2' ' A' ' 43' ' ' PHE . 6.9 tp -73.55 -28.9 62.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.523 ' HA ' ' HB3' ' A' ' 36' ' ' ALA . 33.7 mt-10 -75.4 5.58 5.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -107.28 -27.32 10.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.49 HD13 HG12 ' A' ' 76' ' ' VAL . 4.1 mt -63.43 -23.75 67.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.55 164.74 29.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -21.66 33.23 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.494 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 13.3 p-90 -71.71 -14.22 61.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 30' ' ' GLU . . . -58.97 -20.45 52.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.5 t -77.15 -7.99 56.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.3 mt -89.79 -15.7 31.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.422 ' O ' ' N ' ' A' ' 42' ' ' ARG . 63.3 m-85 -113.84 -24.97 8.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.42 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 14.8 ptt85 -38.51 -46.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.42 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -53.04 -43.56 66.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 39' ' ' TYR . 36.8 mtt-85 -66.37 -26.41 67.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.545 ' CE2' HD22 ' A' ' 29' ' ' LEU . 3.5 m-85 -79.21 -47.95 15.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.756 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.3 mm? -66.3 -55.76 14.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 t -50.53 -47.22 57.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -82.27 17.17 1.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 38.85 34.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.093 HG13 HD12 ' A' ' 52' ' ' LEU . 47.3 t -55.38 104.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 50' ' ' GLY . 5.9 p30 -97.04 162.18 13.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 49' ' ' ASN . . . -34.23 -67.7 0.24 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.635 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -41.42 -48.73 3.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 110.899 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 1.093 HD12 HG13 ' A' ' 48' ' ' VAL . 3.0 tm? -59.24 -48.84 80.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.83 HD22 HG13 ' A' ' 25' ' ' VAL . 19.6 tp -49.52 -44.08 46.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.411 ' HA ' HD21 ' A' ' 81' ' ' LEU . 33.2 mt -68.64 -50.12 53.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 51' ' ' ARG . 66.7 p -51.18 -27.39 8.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.589 HD12 ' HA ' ' A' ' 53' ' ' LEU . 60.4 mt -67.99 129.69 40.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.2 p -118.33 172.25 7.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -51.52 -16.95 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.1 -59.22 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -47.0 -37.29 8.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.688 ' HB3' HD12 ' A' ' 68' ' ' ILE . 12.3 m-85 -64.26 -31.13 72.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.2 t -77.97 6.1 8.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -115.62 145.88 42.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.777 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -63.74 163.93 19.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.617 0.722 . . . . 0.0 111.081 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.777 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.3 Cg_endo -69.81 -16.62 12.28 Favored 'Cis proline' 0 C--O 1.232 0.179 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.316 0.06 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.506 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.8 m-85 -56.28 -46.78 79.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.762 ' O ' HG23 ' A' ' 67' ' ' THR . 1.9 t 30.59 38.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.688 HD12 ' HB3' ' A' ' 61' ' ' PHE . 73.1 mt -50.91 97.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -82.79 -21.57 34.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -85.97 90.88 8.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.5 m -38.85 -49.32 1.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.489 ' O ' HG23 ' A' ' 76' ' ' VAL . 75.5 m -39.71 -47.5 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.48 ' CE1' HD11 ' A' ' 77' ' ' ILE . 26.7 t-80 -55.4 -47.38 75.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.786 ' O ' HD12 ' A' ' 78' ' ' LEU . 32.8 mtm180 -62.25 -33.23 74.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -71.03 -40.32 71.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.494 HG11 ' HZ2' ' A' ' 35' ' ' TRP . 64.0 t -65.58 -60.63 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.48 HD11 ' CE1' ' A' ' 73' ' ' HIS . 72.2 mt -52.7 -58.83 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 74' ' ' ARG . 12.4 mt -51.75 -66.62 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 85.9 m -43.7 -58.04 2.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.481 ' CD ' HD22 ' A' ' 32' ' ' LEU . 9.3 mm-40 -54.39 -41.46 69.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 54' ' ' LEU . 5.9 tp -59.78 -37.77 80.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.472 ' CD ' ' C ' ' A' ' 82' ' ' GLU . 5.3 tm-20 -58.38 -33.42 69.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -74.39 -66.3 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.46 HG23 ' N ' ' A' ' 85' ' ' ARG . 15.4 m -44.31 -46.87 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.46 ' N ' HG23 ' A' ' 84' ' ' VAL . 5.0 ptm180 -68.79 -42.78 76.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.414 ' N ' ' CG ' ' A' ' 85' ' ' ARG . 3.6 t -104.17 98.55 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -123.16 146.19 16.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 144.96 56.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 34.2 t -75.02 98.22 3.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.8 m -83.95 156.46 22.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.7 p -44.7 142.46 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 0.0 110.88 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -158.77 157.13 31.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.43 -97.64 0.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 m -47.68 157.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.918 0.389 . . . . 0.0 110.875 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -90.72 -44.81 9.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.4 107.62 1.08 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.535 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' HIS . 1.3 mp0 -112.46 101.41 9.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.925 0.393 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 8' ' ' GLU . 16.7 p80 -34.49 118.0 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.832 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.74 -43.28 1.09 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.823 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -67.03 -9.52 40.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.909 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.47 ' N ' HD13 ' A' ' 11' ' ' LEU . 95.9 mt -51.9 -56.77 12.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.432 HG23 ' N ' ' A' ' 14' ' ' HIS . 27.3 m -54.93 -41.75 59.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.432 ' N ' HG23 ' A' ' 13' ' ' VAL . 4.4 t-80 -61.4 -61.8 2.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -69.51 120.84 15.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.416 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . -42.11 137.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.804 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 74.3 t -69.45 -27.05 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.443 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -71.52 0.64 7.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 4.2 mptp? -114.38 -3.68 13.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.804 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 40.7 m0 -65.42 166.44 10.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.6 p -119.59 164.3 16.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -44.0 -26.09 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -80.01 -60.63 2.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.15 -42.76 69.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.68 HG13 HD22 ' A' ' 53' ' ' LEU . 58.6 t -49.37 -49.75 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.467 HG21 ' CD2' ' A' ' 44' ' ' LEU . 69.2 t -68.66 -36.09 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.6 mt -58.93 -52.9 63.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.595 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 32.5 t90 -56.09 -41.84 75.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.584 HD22 ' CE2' ' A' ' 43' ' ' PHE . 10.2 tp -74.59 -26.3 59.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -79.57 11.79 2.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -116.97 -24.56 7.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.566 HD13 HG12 ' A' ' 76' ' ' VAL . 7.5 mt -66.52 -26.03 66.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.8 165.77 32.24 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -24.14 30.12 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.62 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 10.2 p-90 -68.34 -15.15 63.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.433 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -56.83 -37.74 71.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 t -62.42 -13.16 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.3 mt -84.55 -12.49 54.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 40' ' ' ARG . 64.3 m-85 -118.67 -33.06 4.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.507 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 7.1 ptm180 -35.71 -51.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.507 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 51.4 m-20 -46.59 -44.24 17.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' TYR . 15.8 mtt85 -67.02 -33.9 76.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.584 ' CE2' HD22 ' A' ' 29' ' ' LEU . 3.8 m-85 -64.59 -48.08 76.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.503 HD22 ' O ' ' A' ' 40' ' ' ARG . 2.9 mm? -63.18 -54.88 30.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -53.91 -41.12 67.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.447 ' HG3' ' CE1' ' A' ' 66' ' ' TYR . 29.7 mm-40 -85.8 10.55 13.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 42.67 36.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.519 ' HA ' HD23 ' A' ' 52' ' ' LEU . 58.3 t -62.12 93.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -89.15 164.24 15.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.1 -61.08 1.78 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.453 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.417 ' O ' HG22 ' A' ' 55' ' ' THR . 0.0 OUTLIER -42.52 -48.99 5.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.519 HD23 ' HA ' ' A' ' 48' ' ' VAL . 16.6 tp -67.08 -37.65 84.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.68 HD22 HG13 ' A' ' 25' ' ' VAL . 14.9 tp -60.98 -16.33 41.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 52.0 mt -90.42 -51.04 5.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.517 HG23 HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -63.95 -25.3 68.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 53' ' ' LEU . 33.5 mt -60.46 134.65 57.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 58' ' ' GLU . 39.4 p -122.95 166.28 15.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 57' ' ' THR . 7.2 tt0 -36.19 -42.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.4 mp0 -57.55 -71.25 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 59' ' ' GLU . 6.0 mm-40 -37.79 -45.08 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.874 ' HB3' HD12 ' A' ' 68' ' ' ILE . 16.3 m-85 -61.99 -41.82 98.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.7 p -80.02 -7.75 59.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -98.23 148.01 24.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.726 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -60.15 162.35 10.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.56 0.695 . . . . 0.0 111.057 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.726 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 54.0 Cg_endo -69.7 -19.4 11.18 Favored 'Cis proline' 0 C--O 1.231 0.138 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.382 -0.059 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.454 ' O ' ' C ' ' A' ' 67' ' ' THR . 1.3 m-85 -56.72 -44.08 81.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 66' ' ' TYR . 14.7 t 33.24 38.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.874 HD12 ' HB3' ' A' ' 61' ' ' PHE . 95.9 mt -45.18 98.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.087 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -85.03 -12.09 53.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -98.32 86.88 3.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 72' ' ' SER . 62.0 m -38.45 -52.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 71' ' ' SER . 1.3 t -36.65 -44.49 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.897 ' NE2' HD11 ' A' ' 77' ' ' ILE . 12.4 t-160 -58.7 -52.95 63.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.406 ' HG3' HG21 ' A' ' 68' ' ' ILE . 9.3 mtm105 -56.32 -39.87 73.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -40.67 83.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.566 HG12 HD13 ' A' ' 32' ' ' LEU . 80.5 t -69.05 -48.6 68.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.897 HD11 ' NE2' ' A' ' 73' ' ' HIS . 93.6 mt -60.7 -66.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.6 mt -48.48 -61.57 1.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.8 m -43.65 -65.7 0.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -48.54 -44.25 36.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.595 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 3.3 mt -61.18 -31.73 71.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.82 -21.77 66.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -91.15 -59.34 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.526 HG22 ' HA ' ' A' ' 81' ' ' LEU . 18.8 m -47.62 -39.03 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.435 ' CG ' ' N ' ' A' ' 86' ' ' SER . 5.0 ptm180 -73.79 -44.12 56.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.435 ' N ' ' CG ' ' A' ' 85' ' ' ARG . 3.5 t -43.61 151.61 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.95 81.22 0.24 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -178.89 2.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.238 . . . . 0.0 112.358 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.3 t -124.04 154.25 40.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.0 m -39.09 117.43 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.53 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -109.6 -48.82 3.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t 58.06 42.77 21.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.93 87.33 1.81 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -85.45 -48.34 9.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 m -123.72 89.62 3.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.94 -95.05 0.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.445 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 62.48 29.1 17.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -40.32 109.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.52 -50.28 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.772 HD22 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -71.45 -1.22 12.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.888 0.375 . . . . 0.0 110.969 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.549 HD22 ' CH2' ' A' ' 20' ' ' TRP . 17.3 mt -61.77 -55.95 24.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.9 m -62.87 -28.01 44.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -69.91 -59.44 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -74.71 122.19 22.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.31 137.38 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.63 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 55.8 t -65.28 -33.38 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.497 ' OD1' ' CG ' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -69.29 -1.02 7.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -110.76 -1.49 16.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.63 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 41.0 m0 -68.66 174.54 4.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 25' ' ' VAL . 20.7 p -125.55 161.15 27.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.474 ' CG2' ' HA ' ' A' ' 47' ' ' ARG . 1.6 m -40.97 -26.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' THR . 10.9 tt0 -78.82 -63.51 1.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -50.02 -47.23 53.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.478 HG13 HD22 ' A' ' 53' ' ' LEU . 85.6 t -44.67 -48.43 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.662 HG21 ' CD2' ' A' ' 44' ' ' LEU . 97.5 t -71.92 -35.11 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.6 mt -60.26 -51.94 67.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.601 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 25.2 t90 -56.51 -41.31 76.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.537 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 10.0 tp -73.2 -26.68 61.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -76.58 6.71 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.431 HE22 ' CD1' ' A' ' 12' ' ' LEU . 38.5 mt-30 -109.79 -29.79 8.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.645 HD13 HG12 ' A' ' 76' ' ' VAL . 5.7 mt -61.92 -27.36 68.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.01 165.13 31.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -25.28 28.74 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.27 . . . . 0.0 112.347 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.454 ' CE3' ' N ' ' A' ' 36' ' ' ALA . 11.9 p-90 -67.31 -16.85 64.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.537 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -56.18 -31.04 63.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.8 t -68.26 -10.41 54.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.9 mt -86.71 -14.87 41.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.402 ' O ' ' N ' ' A' ' 42' ' ' ARG . 36.5 m-85 -116.95 -24.11 7.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 11.6 ptt85 -39.27 -45.73 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.425 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 7.6 t0 -51.23 -42.03 60.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 39' ' ' TYR . 71.1 mtt-85 -65.94 -29.94 70.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.472 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 7.6 m-85 -72.85 -48.21 39.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.662 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.1 mm? -66.49 -54.52 23.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -51.55 -45.87 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -87.28 8.94 21.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.474 ' HA ' ' CG2' ' A' ' 22' ' ' THR . 0.0 OUTLIER 39.43 45.73 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.582 ' HA ' HD23 ' A' ' 52' ' ' LEU . 43.5 t -67.14 95.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -78.49 157.18 28.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.421 ' N ' ' CG2' ' A' ' 25' ' ' VAL . . . -38.59 -58.55 1.74 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.471 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.497 ' CG ' ' OD1' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -45.44 -53.21 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.332 . . . . 0.0 110.84 -179.812 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.582 HD23 ' HA ' ' A' ' 48' ' ' VAL . 23.6 tp -58.07 -38.0 75.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.503 ' HA ' HD12 ' A' ' 56' ' ' LEU . 42.3 tp -59.45 -38.08 79.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.467 HD12 ' HB2' ' A' ' 18' ' ' ASP . 45.9 mt -65.88 -53.28 41.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.1 p -54.44 -41.35 69.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 53' ' ' LEU . 72.1 mt -51.61 140.19 19.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 58' ' ' GLU . 37.3 p -127.38 166.06 18.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' THR . 17.6 tt0 -35.8 -37.02 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -66.41 -73.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 59' ' ' GLU . 48.4 mm-40 -36.44 -41.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.609 ' CD2' HD21 ' A' ' 78' ' ' LEU . 35.0 m-85 -61.59 -46.28 90.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.9 p -77.6 -6.45 53.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -99.41 148.72 23.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.673 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -59.23 160.85 11.09 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.603 0.716 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.673 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.2 Cg_endo -69.78 -23.76 8.92 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.343 -0.005 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.508 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.4 m-85 -52.4 -42.91 64.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.773 ' O ' HG23 ' A' ' 67' ' ' THR . 1.7 t 30.08 38.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.179 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.588 HG21 ' HD2' ' A' ' 73' ' ' HIS . 37.4 mt -48.03 94.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -83.14 40.26 0.69 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -147.63 106.25 3.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 74' ' ' ARG . 32.1 m -54.84 -63.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.603 ' O ' HG23 ' A' ' 76' ' ' VAL . 34.9 m -34.6 -41.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.588 ' HD2' HG21 ' A' ' 68' ' ' ILE . 76.5 t60 -61.23 -50.6 72.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' SER . 9.7 mtm105 -61.67 -42.55 99.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.423 ' HD3' ' C ' ' A' ' 75' ' ' ARG . 4.2 tmt_? -55.71 -41.12 73.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.645 HG12 HD13 ' A' ' 32' ' ' LEU . 85.4 t -66.24 -49.2 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.52 HG22 HD12 ' A' ' 81' ' ' LEU . 91.8 mt -62.25 -62.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.609 HD21 ' CD2' ' A' ' 61' ' ' PHE . 4.4 mm? -50.8 -61.31 2.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.9 m -45.2 -67.5 0.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.171 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -46.55 -51.06 16.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.601 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 4.8 mt -53.52 -40.69 65.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -61.53 -25.0 67.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -84.01 -62.02 1.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 85' ' ' ARG . 17.0 m -45.3 -46.09 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.469 ' N ' HG23 ' A' ' 84' ' ' VAL . 10.1 ptm180 -67.19 -43.68 81.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.414 ' N ' ' CG ' ' A' ' 85' ' ' ARG . 46.9 t -69.02 105.65 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.85 145.69 22.76 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -19.49 36.12 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.712 2.274 . . . . 0.0 112.343 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.0 m -43.66 165.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 93.5 p -68.07 128.62 37.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -110.77 94.1 4.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.927 0.394 . . . . 0.0 110.85 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -87.16 93.33 9.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.9 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.38 -46.49 2.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.447 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 m -128.87 147.38 50.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 110.88 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 m -83.77 126.09 32.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.47 138.58 4.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -170.52 149.65 3.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.891 0.377 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -101.74 104.09 14.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.61 -39.67 0.89 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.794 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -67.35 -12.48 60.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.936 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.528 ' N ' HD22 ' A' ' 11' ' ' LEU . 18.6 mt -49.77 -59.85 3.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.6 m -55.81 -32.1 31.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -65.86 -48.06 72.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -87.93 142.93 27.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.588 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -56.64 147.09 23.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.689 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 83.2 t -76.66 -32.25 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.481 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -69.56 -1.35 8.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -114.65 -3.05 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.689 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 45.3 m0 -63.85 170.76 3.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.1 p -120.72 159.34 25.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.5 m -41.11 -28.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -77.72 -59.79 2.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -53.75 -42.48 68.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 1.028 HG13 HD12 ' A' ' 53' ' ' LEU . 43.2 t -49.03 -48.79 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.672 HG21 ' CD2' ' A' ' 44' ' ' LEU . 94.3 t -70.01 -36.37 68.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 27' ' ' LEU . 11.4 mt -58.34 -51.64 68.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.592 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 31.9 t90 -57.26 -43.23 82.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.498 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 11.0 tp -73.17 -28.03 61.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.464 ' HG3' HG12 ' A' ' 26' ' ' VAL . 15.4 mt-10 -77.27 8.2 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -112.42 -27.52 8.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.497 HD13 HG12 ' A' ' 76' ' ' VAL . 6.9 mt -64.08 -29.39 70.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.83 165.4 32.74 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -22.8 31.65 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.648 2.232 . . . . 0.0 112.372 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.565 ' CD2' ' CD2' ' A' ' 73' ' ' HIS . 17.5 p-90 -66.78 -17.09 64.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.498 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -57.09 -33.37 67.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.9 t -65.35 -8.92 20.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.5 mt -86.75 -16.24 36.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 40' ' ' ARG . 56.4 m-85 -117.8 -30.41 5.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 10.9 ptm180 -34.62 -50.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.479 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 15.3 m-20 -46.94 -47.08 21.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 39' ' ' TYR . 18.8 mtt-85 -64.19 -38.41 90.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.445 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 57.0 m-85 -62.01 -44.31 96.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.672 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.0 mm? -70.63 -56.05 7.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -51.88 -47.96 64.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.47 ' HB2' HG23 ' A' ' 48' ' ' VAL . 70.2 mm-40 -79.49 6.51 10.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.5 mmm-85 44.51 36.12 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.644 ' HA ' HD23 ' A' ' 52' ' ' LEU . 88.1 t -66.37 98.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.526 ' C ' HG21 ' A' ' 25' ' ' VAL . 24.1 p30 -88.14 172.4 9.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.467 ' N ' ' CG2' ' A' ' 25' ' ' VAL . . . -49.4 -60.35 6.36 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.558 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.33 -48.55 5.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.644 HD23 ' HA ' ' A' ' 48' ' ' VAL . 54.5 tp -71.29 -31.74 67.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.028 HD12 HG13 ' A' ' 25' ' ' VAL . 2.1 tt -65.08 -35.74 82.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 30.5 mt -68.68 -52.85 26.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 50.9 p -55.68 -46.1 77.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 53' ' ' LEU . 34.8 mt -42.24 145.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' GLU . 74.3 p -130.37 162.21 29.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' THR . 23.4 tt0 -34.45 -58.17 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.1 tt0 -43.38 -64.49 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -45.87 -42.51 12.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.623 ' HB3' HD12 ' A' ' 68' ' ' ILE . 10.3 m-85 -65.56 -28.08 68.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 59' ' ' GLU . 30.7 t -84.92 -6.11 59.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -106.45 148.2 28.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.788 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -59.67 164.81 5.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.597 0.713 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.788 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 54.2 Cg_endo -69.7 -16.8 12.05 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.391 -0.058 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 68' ' ' ILE . 0.6 OUTLIER -61.04 -44.37 97.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.952 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.772 ' O ' HG23 ' A' ' 67' ' ' THR . 2.4 t 29.31 40.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.165 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.623 HD12 ' HB3' ' A' ' 61' ' ' PHE . 56.3 mt -42.08 93.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' THR . 20.5 mt-10 -82.98 37.33 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -150.5 105.75 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.1 t -55.24 -48.6 73.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.555 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.7 t -40.47 -52.56 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.837 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.565 ' CD2' ' CD2' ' A' ' 35' ' ' TRP . 36.1 m170 -55.68 -56.7 17.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 46.9 mtm-85 -49.73 -40.76 41.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -65.19 -41.99 94.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 72' ' ' SER . 59.3 t -67.38 -46.5 83.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.508 ' O ' HD12 ' A' ' 81' ' ' LEU . 85.1 mt -65.42 -49.12 80.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.6 mt -66.05 -52.36 49.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.9 m -54.54 -55.35 30.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.417 ' OE2' HD22 ' A' ' 32' ' ' LEU . 5.5 mm-40 -55.95 -43.52 77.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.685 HD11 ' CD2' ' A' ' 53' ' ' LEU . 1.3 mt -60.78 -35.95 77.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -62.72 -23.24 67.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.0 mtt180 -88.07 -59.76 2.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' ' 81' ' ' LEU . 13.2 m -44.56 -42.32 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -66.74 -37.33 84.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.6 t -47.08 -49.69 21.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 126.46 -164.5 20.01 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 112.47 3.08 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.0 m -94.43 105.99 17.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.9 m -88.89 138.0 31.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -117.01 95.95 5.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.873 0.368 . . . . 0.0 110.851 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m -111.09 103.39 11.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.98 -145.8 9.99 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.7 m -67.4 160.77 26.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.845 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.8 m -128.89 136.98 51.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.39 146.31 8.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.525 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -77.33 125.81 29.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -101.87 96.48 7.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.13 -59.99 0.28 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.837 HD13 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -50.14 -18.03 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.837 ' N ' HD13 ' A' ' 11' ' ' LEU . 18.8 mt -43.24 -59.83 1.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.4 m -59.21 -39.03 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -60.27 -68.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.8 tttt -66.64 119.86 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.455 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -42.3 148.32 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.55 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 92.1 t -73.17 -32.29 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.42 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 3.3 p-10 -66.64 -3.57 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -112.73 0.88 15.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.55 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 43.7 m0 -69.49 164.49 23.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 23' ' ' GLU . 21.7 p -116.6 158.04 24.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.466 HG22 HD13 ' A' ' 44' ' ' LEU . 1.3 m -38.75 -26.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 21' ' ' THR . 7.0 tt0 -79.4 -62.89 1.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -54.11 -39.39 66.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 1.015 HG13 HD12 ' A' ' 53' ' ' LEU . 54.3 t -53.75 -48.48 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.848 HG21 ' CD2' ' A' ' 44' ' ' LEU . 97.3 t -72.43 -31.71 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.8 mt -63.6 -53.28 54.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 18.6 t90 -57.16 -39.67 75.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.572 HD22 ' CZ ' ' A' ' 43' ' ' PHE . 8.5 tp -75.11 -24.85 58.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -79.81 12.28 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -116.34 -28.45 6.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.501 HD13 HG12 ' A' ' 76' ' ' VAL . 4.5 mt -61.08 -27.55 68.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.93 165.42 32.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.533 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -25.63 28.52 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.698 2.266 . . . . 0.0 112.359 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.544 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 11.1 p-90 -66.17 -17.49 64.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.479 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -53.91 -38.71 65.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.7 t -62.3 -9.94 9.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 mt -88.98 -12.65 40.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -117.57 -25.6 6.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.441 ' O ' HD23 ' A' ' 44' ' ' LEU . 11.8 ptt85 -40.18 -45.64 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 4.2 m-20 -51.16 -44.44 61.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 -67.83 -29.39 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.572 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 7.2 m-85 -72.89 -49.21 31.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.848 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.7 mm? -66.11 -54.38 26.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -51.38 -48.59 62.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -81.01 10.34 5.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.7 mmt85 44.53 34.29 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.994 HG13 HD12 ' A' ' 52' ' ' LEU . 59.0 t -55.87 101.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' GLY . 7.2 p30 -92.98 159.03 15.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.512 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -36.48 -63.82 0.66 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.566 ' O ' HG23 ' A' ' 55' ' ' THR . 3.7 tmt_? -44.2 -45.83 8.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 0.0 110.854 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.994 HD12 HG13 ' A' ' 48' ' ' VAL . 3.2 tm? -64.79 -49.17 71.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.015 HD12 HG13 ' A' ' 25' ' ' VAL . 2.1 tt -51.89 -38.72 57.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.42 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 17.3 mt -67.68 -54.46 19.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 51' ' ' ARG . 45.6 p -50.13 -30.32 10.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 53' ' ' LEU . 75.3 mt -63.11 132.89 53.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.1 p -116.71 168.28 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.471 ' HB2' HD21 ' A' ' 78' ' ' LEU . 26.6 tt0 -48.19 -19.62 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.9 -60.82 1.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -51.83 -28.65 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.95 ' HB3' HD12 ' A' ' 68' ' ' ILE . 27.1 m-85 -69.39 -27.19 65.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.9 t -88.0 2.7 51.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -101.4 147.15 26.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.546 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -61.19 154.77 60.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.557 0.694 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.9 Cg_endo -69.77 -31.09 4.77 Favored 'Cis proline' 0 C--O 1.231 0.166 0 C-N-CA 122.644 -1.815 . . . . 0.0 112.341 0.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.8 m-85 -39.62 -47.25 1.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 65' ' ' PRO . 12.7 t 33.31 34.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.95 HD12 ' HB3' ' A' ' 61' ' ' PHE . 78.2 mt -50.26 87.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 67' ' ' THR . 10.3 mt-10 -78.77 -24.98 44.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -87.19 92.46 9.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 72' ' ' SER . 23.2 t -38.5 -44.92 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.6 ' O ' HG23 ' A' ' 76' ' ' VAL . 22.9 t -34.93 -48.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.891 ' NE2' HD11 ' A' ' 77' ' ' ILE . 9.5 t-160 -55.64 -57.55 11.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -51.92 -48.31 64.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -53.42 -45.44 69.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 72' ' ' SER . 45.1 t -68.79 -59.63 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.891 HD11 ' NE2' ' A' ' 73' ' ' HIS . 60.7 mt -49.01 -64.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.471 HD21 ' HB2' ' A' ' 58' ' ' GLU . 11.1 mp -49.45 -70.94 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' LEU . 94.6 m -36.13 -62.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.439 ' O ' HG22 ' A' ' 84' ' ' VAL . 23.9 mm-40 -54.97 -38.42 67.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.48 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 7.5 tp -64.17 -41.7 97.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -56.87 -30.87 64.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -78.61 -64.93 1.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.48 ' CG2' ' HA ' ' A' ' 81' ' ' LEU . 4.1 m -43.29 -44.91 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' A' ' 86' ' ' SER . 10.6 ptm180 -66.51 -36.42 82.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.462 ' N ' ' HG3' ' A' ' 85' ' ' ARG . 7.1 t -65.28 -60.95 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.62 -177.39 19.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 1.83 4.07 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.677 2.251 . . . . 0.0 112.338 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.1 t -46.21 144.81 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 91.0 p -104.58 144.27 31.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 m -89.78 104.27 16.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.922 0.391 . . . . 0.0 110.878 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t -84.05 150.44 25.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 179.78 78.03 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.53 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 4' ' ' GLY . 25.9 p 38.13 42.85 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.347 . . . . 0.0 110.86 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -99.64 150.45 22.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.9 49.08 0.18 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.465 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.491 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 70.4 mm-40 -122.95 110.73 15.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.907 0.384 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -66.35 96.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.59 -58.16 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.495 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.828 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -62.19 -10.8 11.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.899 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.716 HD12 ' CH2' ' A' ' 20' ' ' TRP . 4.3 mm? -57.68 -56.56 20.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 84' ' ' VAL . 5.3 m -68.49 -16.44 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -85.88 -27.88 24.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -107.61 123.63 48.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.59 135.78 6.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.655 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 87.7 t -63.61 -33.39 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.436 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -64.76 -5.39 5.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.436 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 3.8 mptp? -113.34 1.29 15.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.716 ' CH2' HD12 ' A' ' 12' ' ' LEU . 44.6 m0 -67.76 160.94 27.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.6 p -108.97 156.94 19.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.4 m -40.17 -29.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.173 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -77.78 -59.13 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -51.95 -41.85 62.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 1.037 HG13 HD12 ' A' ' 53' ' ' LEU . 35.8 t -51.75 -48.49 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.489 HG21 ' CD1' ' A' ' 44' ' ' LEU . 61.3 t -70.91 -37.27 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.0 mt -59.37 -50.56 73.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.402 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . 29.9 t90 -59.33 -41.92 90.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.691 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 12.4 tp -73.55 -28.49 61.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -77.83 6.73 6.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' A' ' 28' ' ' TRP . 42.7 mt-30 -109.89 -25.81 10.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mt -66.2 -28.52 68.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.2 165.5 32.06 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -23.32 30.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.711 2.274 . . . . 0.0 112.324 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.42 ' CD2' ' CD2' ' A' ' 73' ' ' HIS . 20.7 p-90 -67.3 -17.0 64.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.691 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -59.06 -26.99 65.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.428 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 8.3 t -70.42 -10.25 58.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.1 mt -85.41 -11.47 54.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 40' ' ' ARG . 60.5 m-85 -124.17 -31.58 3.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.488 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 6.4 ptm180 -36.3 -51.62 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.488 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 10.7 m-20 -46.26 -44.44 16.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 39' ' ' TYR . 15.1 mtp85 -60.94 -37.91 84.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.427 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 58.4 m-85 -62.13 -57.94 9.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.489 ' CD1' HG21 ' A' ' 26' ' ' VAL . 1.1 mm? -55.24 -59.04 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 t -49.5 -53.47 23.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -78.24 4.24 13.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.8 mmm-85 44.86 43.32 6.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.596 ' HA ' HD23 ' A' ' 52' ' ' LEU . 89.3 t -74.03 92.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.534 ' C ' HG21 ' A' ' 25' ' ' VAL . 17.9 p-10 -77.6 174.94 10.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.479 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -52.42 -57.55 13.36 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -43.2 -37.62 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 0.0 110.869 -179.826 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.596 HD23 ' HA ' ' A' ' 48' ' ' VAL . 53.2 tp -81.73 -36.73 28.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.037 HD12 HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -60.47 -32.65 71.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.3 mt -72.39 -50.28 27.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 51' ' ' ARG . 29.5 p -54.47 -37.93 65.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 53' ' ' LEU . 47.3 mt -56.12 132.87 51.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 58' ' ' GLU . 65.2 p -112.82 161.98 16.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.195 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 57' ' ' THR . 18.1 tt0 -34.66 -44.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 62' ' ' SER . 0.4 OUTLIER -60.48 -71.04 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' GLU . 24.7 mm-40 -37.54 -40.46 0.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.738 ' HB3' HD12 ' A' ' 68' ' ' ILE . 50.9 m-85 -61.59 -42.42 98.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 59' ' ' GLU . 11.8 t -85.26 0.93 50.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -108.28 145.66 34.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.557 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -51.1 151.2 4.93 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.596 0.712 . . . . 0.0 111.094 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 54.2 Cg_endo -69.73 -42.81 0.69 Allowed 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.351 -0.01 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.498 ' O ' ' N ' ' A' ' 68' ' ' ILE . 2.4 m-85 -37.7 -43.15 0.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.779 ' O ' HG23 ' A' ' 67' ' ' THR . 1.8 t 30.66 37.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.131 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.738 HD12 ' HB3' ' A' ' 61' ' ' PHE . 68.5 mt -45.9 92.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 67' ' ' THR . 17.9 mt-10 -84.86 40.65 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.429 ' HB3' ' ND1' ' A' ' 73' ' ' HIS . 3.2 t-20 -148.45 107.73 3.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 72' ' ' SER . 59.7 m -56.07 -60.48 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.458 ' O ' HG23 ' A' ' 76' ' ' VAL . 22.5 m -34.29 -45.5 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.843 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.429 ' ND1' ' HB3' ' A' ' 70' ' ' ASN . 45.8 m170 -59.92 -56.08 26.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 62' ' ' SER . 54.7 mtm-85 -52.43 -44.87 65.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.4 ' O ' ' HD2' ' A' ' 75' ' ' ARG . 0.6 OUTLIER -54.96 -57.8 10.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 72' ' ' SER . 51.7 t -54.8 -56.21 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.499 HG22 ' N ' ' A' ' 78' ' ' LEU . 52.0 mt -51.23 -73.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.499 ' N ' HG22 ' A' ' 77' ' ' ILE . 3.6 mm? -41.69 -61.67 1.04 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.5 m -44.86 -62.17 1.32 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -50.19 -41.7 49.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.485 ' HA ' HG22 ' A' ' 84' ' ' VAL . 5.2 tp -61.78 -40.38 94.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -60.15 -17.48 40.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 30.0 mtt-85 -93.33 -58.25 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.485 HG22 ' HA ' ' A' ' 81' ' ' LEU . 6.8 m -53.55 -38.85 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.438 ' CG ' ' N ' ' A' ' 86' ' ' SER . 9.8 ptm180 -75.03 -46.0 37.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.438 ' N ' ' CG ' ' A' ' 85' ' ' ARG . 12.5 t -66.15 176.97 1.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.416 ' N ' ' OG ' ' A' ' 86' ' ' SER . . . -88.29 -163.88 39.7 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.51 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 170.03 17.51 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.338 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.8 m -140.9 111.7 7.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 t -44.71 128.35 6.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.507 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.0 p -63.73 -20.37 65.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 0.0 110.852 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 p -75.46 120.85 21.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.51 174.3 0.49 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -163.68 169.89 17.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.881 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 m -136.42 166.26 23.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.03 131.47 2.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -125.89 134.27 51.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.416 ' CG ' ' OE1' ' A' ' 31' ' ' GLN . 26.6 t60 -113.72 87.87 2.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.59 -49.73 0.22 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.715 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -70.28 -3.69 18.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.914 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.483 ' N ' HD13 ' A' ' 11' ' ' LEU . 44.9 mt -72.61 -60.35 2.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 14' ' ' HIS . 20.8 m -55.34 -43.67 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.444 ' N ' HG23 ' A' ' 13' ' ' VAL . 8.2 t-80 -57.12 -44.27 83.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -88.13 141.03 28.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.65 136.54 56.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.55 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 87.1 t -62.69 -32.06 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.74 -3.86 7.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -115.21 6.71 15.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.55 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 41.0 m0 -77.17 168.59 19.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' GLU . 13.0 p -121.05 156.76 31.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 m -38.16 -28.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' THR . 14.0 tt0 -76.6 -57.68 3.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.55 -40.38 82.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.832 HG13 HD12 ' A' ' 53' ' ' LEU . 84.7 t -50.98 -48.22 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.636 HG21 ' CD2' ' A' ' 44' ' ' LEU . 97.6 t -70.93 -33.33 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.8 mt -61.53 -53.23 59.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.421 ' CH2' HG23 ' A' ' 77' ' ' ILE . 24.8 t90 -56.39 -40.34 74.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.51 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 8.8 tp -74.86 -26.65 59.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.95 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -77.77 8.99 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.43 HE22 ' CD1' ' A' ' 12' ' ' LEU . 37.5 mt-30 -111.85 -28.48 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.591 HD13 HG12 ' A' ' 76' ' ' VAL . 5.0 mt -63.08 -27.1 69.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.74 164.72 30.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -23.33 31.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.619 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.6 p-90 -68.97 -15.89 63.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.977 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.51 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -56.48 -38.93 72.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.106 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.7 t -61.18 -13.68 19.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.2 mt -85.44 -10.44 56.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -118.31 -25.85 6.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.408 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 12.0 ptt180 -39.61 -42.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.833 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -47.84 -43.71 28.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.547 HH22 HD11 ' A' ' 68' ' ' ILE . 15.8 mtm180 -63.03 -46.85 85.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' A' ' 29' ' ' LEU . 51.7 m-85 -58.71 -51.25 70.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.636 ' CD2' HG21 ' A' ' 26' ' ' VAL . 2.7 mm? -63.7 -56.76 13.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -53.06 -49.95 65.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -84.98 7.41 21.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 40.99 42.52 1.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.61 ' HA ' HD23 ' A' ' 52' ' ' LEU . 92.4 t -65.68 90.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -72.1 169.36 16.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.91 -53.96 27.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.49 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -48.31 -45.21 34.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.361 . . . . 0.0 110.847 -179.87 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.61 HD23 ' HA ' ' A' ' 48' ' ' VAL . 57.6 tp -70.46 -33.22 71.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.832 HD12 HG13 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -64.14 -43.68 94.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.8 mt -61.4 -54.11 47.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 51' ' ' ARG . 42.3 p -49.5 -43.26 45.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' A' ' 53' ' ' LEU . 39.9 mt -50.15 147.83 3.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' GLU . 62.0 p -131.04 164.91 24.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -42.92 -23.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -82.18 -59.32 2.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 8.0 mm-40 -53.02 -29.92 32.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.842 ' HB3' HD12 ' A' ' 68' ' ' ILE . 42.1 m-85 -69.26 -32.25 71.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.02 10.73 20.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -111.34 151.2 28.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.547 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -61.77 154.34 67.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.561 0.696 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.3 Cg_endo -69.78 -30.48 5.12 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.369 0.034 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 68' ' ' ILE . 2.7 m-85 -40.07 -45.69 2.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 65' ' ' PRO . 13.3 t 33.67 34.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.842 HD12 ' HB3' ' A' ' 61' ' ' PHE . 98.1 mt -46.45 92.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' THR . 13.9 mt-10 -85.77 26.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -140.52 105.08 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 72' ' ' SER . 47.8 m -50.28 -53.33 29.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.655 ' O ' HG23 ' A' ' 76' ' ' VAL . 39.0 m -34.55 -51.73 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.9 ' CE1' HD11 ' A' ' 77' ' ' ILE . 23.2 t-80 -51.39 -53.27 38.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 86.4 mtm-85 -60.44 -51.21 70.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.411 ' HD3' ' C ' ' A' ' 75' ' ' ARG . 3.9 tmt_? -49.21 -40.09 32.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 72' ' ' SER . 55.0 t -71.07 -68.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.9 HD11 ' CE1' ' A' ' 73' ' ' HIS . 81.4 mt -43.57 -59.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.665 HD11 ' CD2' ' A' ' 61' ' ' PHE . 9.1 mp -52.79 -69.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.0 m -38.37 -52.85 1.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -63.99 -36.62 84.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 78' ' ' LEU . 8.3 tp -61.72 -45.89 91.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -53.65 -36.03 61.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.0 mtp85 -71.45 -65.15 0.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.81 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 85' ' ' ARG . 12.3 m -43.94 -46.38 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 86' ' ' SER . 8.1 ptm180 -66.2 -35.37 80.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.458 ' N ' ' HG3' ' A' ' 85' ' ' ARG . 39.6 t -66.64 139.46 57.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.9 133.68 27.37 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.452 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 152.13 69.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -118.67 163.29 17.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.2 t -86.79 -62.53 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m -129.58 92.47 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.843 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -167.24 140.01 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.67 151.57 23.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -123.71 -57.39 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.9 m -84.59 102.55 12.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.69 42.49 1.37 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.433 ' O ' HD12 ' A' ' 11' ' ' LEU . 18.3 mt-10 -128.42 150.08 50.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.93 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -81.49 106.99 13.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.425 ' O ' HG22 ' A' ' 13' ' ' VAL . . . 154.46 -50.19 0.48 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.461 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.914 HD13 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -54.04 -21.15 7.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.955 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.914 ' N ' HD13 ' A' ' 11' ' ' LEU . 20.9 mt -40.81 -58.2 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.537 HG23 ' N ' ' A' ' 14' ' ' HIS . 33.1 m -57.75 -46.15 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.537 ' N ' HG23 ' A' ' 13' ' ' VAL . 17.8 m-70 -51.99 -47.22 65.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -87.05 128.37 35.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.505 ' HB1' ' OD1' ' A' ' 18' ' ' ASP . . . -49.2 135.21 17.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.794 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 60.2 t -67.58 -28.66 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.505 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 3.2 p-10 -69.77 -1.52 9.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -115.16 -2.27 12.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.794 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 43.8 m0 -63.07 165.14 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 23' ' ' GLU . 19.7 p -119.18 155.37 31.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.427 HG22 HD13 ' A' ' 44' ' ' LEU . 7.2 m -37.04 -30.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 21' ' ' THR . 18.5 tt0 -75.85 -57.76 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -58.48 -40.08 81.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.559 HG13 HD22 ' A' ' 53' ' ' LEU . 41.9 t -52.06 -50.77 33.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.77 HG21 ' CD2' ' A' ' 44' ' ' LEU . 88.6 t -69.77 -34.19 59.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.5 mt -60.48 -51.49 69.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.591 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 21.9 t90 -56.18 -40.23 73.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.498 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 8.3 tp -73.23 -24.95 60.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -78.43 8.64 4.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -112.35 -24.23 9.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.575 HD13 HG12 ' A' ' 76' ' ' VAL . 5.0 mt -68.11 -28.12 67.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.17 162.88 28.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -18.56 37.02 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.332 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.642 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.0 p-90 -73.74 -13.16 60.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.498 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -56.92 -39.57 74.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.0 t -62.45 -10.29 11.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.2 mt -85.81 -13.63 47.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.449 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 13.5 m-85 -120.9 -27.77 4.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.442 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 7.3 ptm180 -39.52 -33.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.31 -45.39 80.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.426 ' NH1' ' HA ' ' A' ' 66' ' ' TYR . 14.4 mtm105 -66.87 -29.72 69.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -71.35 -51.88 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.77 ' CD2' HG21 ' A' ' 26' ' ' VAL . 2.9 mm? -62.88 -55.83 22.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -50.51 -48.83 56.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 47' ' ' ARG . 78.6 mm-40 -81.84 15.55 2.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 46' ' ' GLU . 29.1 mmm-85 34.99 43.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.71 ' HA ' HD23 ' A' ' 52' ' ' LEU . 61.1 t -68.34 106.13 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.432 ' C ' HG21 ' A' ' 25' ' ' VAL . 16.3 p-10 -93.23 170.97 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -50.71 -59.88 7.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.516 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.646 ' O ' HG23 ' A' ' 55' ' ' THR . 0.7 OUTLIER -44.38 -35.3 2.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.85 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.71 HD23 ' HA ' ' A' ' 48' ' ' VAL . 46.1 tp -81.13 -33.52 33.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.559 HD22 HG13 ' A' ' 25' ' ' VAL . 45.9 tp -63.94 -46.99 82.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 33.7 mt -58.27 -48.36 80.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 51' ' ' ARG . 41.6 p -55.45 -46.35 76.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 53' ' ' LEU . 65.4 mt -49.96 147.54 3.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.41 ' C ' ' N ' ' A' ' 59' ' ' GLU . 46.3 p -130.38 169.12 15.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -45.3 -21.43 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 57' ' ' THR . 0.5 OUTLIER -87.07 -63.51 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -42.35 -41.79 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.532 ' CD2' HD21 ' A' ' 78' ' ' LEU . 56.3 m-85 -60.54 -39.3 87.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.3 p -79.94 11.36 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.42 ' C ' ' H ' ' A' ' 67' ' ' THR . 7.3 mmm180 -115.12 148.14 39.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.538 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -58.83 154.68 35.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.568 0.699 . . . . 0.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.5 Cg_endo -69.78 -29.06 5.92 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.369 0.038 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.5 m-85 -42.55 -49.62 5.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 65' ' ' PRO . 13.7 t 33.18 36.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.54 HD13 ' ND1' ' A' ' 73' ' ' HIS . 18.5 mt -46.67 91.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' THR . 15.4 mt-10 -80.28 43.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -155.57 105.32 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 74' ' ' ARG . 62.6 m -56.12 -57.94 10.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.469 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.4 m -37.1 -40.91 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.642 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 55.6 t-80 -63.8 -42.79 97.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 71' ' ' SER . 37.1 mtm180 -67.87 -41.2 83.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -43.98 82.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.575 HG12 HD13 ' A' ' 32' ' ' LEU . 96.3 t -65.46 -42.8 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.514 HD11 ' CE1' ' A' ' 73' ' ' HIS . 56.3 mt -68.26 -62.82 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.532 HD21 ' CD2' ' A' ' 61' ' ' PHE . 3.9 mm? -50.93 -60.44 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.7 m -46.09 -59.64 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -54.75 -40.84 69.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.591 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 4.4 mt -65.81 -32.61 74.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -64.27 -26.02 68.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 52.4 mtt-85 -86.54 -58.26 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.572 HG22 ' HA ' ' A' ' 81' ' ' LEU . 28.6 m -47.18 -40.11 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 86' ' ' SER . 7.6 ptm180 -78.18 -43.43 28.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.421 ' N ' ' CG ' ' A' ' 85' ' ' ARG . 9.2 t -136.53 108.95 7.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 156.64 82.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.551 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 84.96 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.358 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.3 p -83.45 166.89 17.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 90.6 p -143.66 112.25 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.466 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -119.52 -35.26 3.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 110.829 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.1 m 39.86 42.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.2 140.65 16.17 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.5 m 50.27 40.44 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.367 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.1 p -136.62 111.71 8.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.03 131.51 9.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.432 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -147.41 143.75 28.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 24.1 p-80 -115.89 116.37 27.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.41 -47.82 0.98 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.524 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.873 HD22 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -61.25 -14.31 25.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.82 ' N ' HD13 ' A' ' 11' ' ' LEU . 4.3 mm? -39.83 -56.03 1.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.525 HG23 ' N ' ' A' ' 14' ' ' HIS . 27.6 m -63.51 -47.36 91.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.525 ' N ' HG23 ' A' ' 13' ' ' VAL . 47.2 m170 -47.49 -36.32 10.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -103.72 126.02 50.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.599 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -46.12 150.88 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.669 HG21 HG23 ' A' ' 84' ' ' VAL . 92.0 t -75.96 -32.18 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.086 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.426 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 2.1 p-10 -70.06 -1.02 8.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -114.43 -2.87 13.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 43.8 m0 -64.86 161.16 18.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' GLU . 22.3 p -110.4 158.11 18.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.151 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.4 m -41.86 -23.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.142 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.7 tt0 -82.03 -55.81 4.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -56.28 -45.69 80.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.545 HG13 HD22 ' A' ' 53' ' ' LEU . 95.1 t -46.37 -47.7 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.704 HG21 ' CD2' ' A' ' 44' ' ' LEU . 61.8 t -71.05 -34.43 55.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.9 mt -62.38 -54.47 39.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.515 ' CZ3' HD21 ' A' ' 53' ' ' LEU . 27.5 t90 -56.83 -40.6 76.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.63 HD22 ' CZ ' ' A' ' 43' ' ' PHE . 10.9 tp -74.77 -27.78 60.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -77.42 6.63 6.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -110.14 -26.56 9.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.534 HD22 ' CD ' ' A' ' 80' ' ' GLU . 5.2 mt -65.01 -28.97 69.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.0 164.59 31.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -22.49 32.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.47 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 19.9 p-90 -68.21 -16.47 63.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.459 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -58.25 -32.57 68.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.073 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -65.15 -12.52 51.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 mt -86.48 -12.75 48.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -118.34 -19.18 9.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.447 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 12.7 ptt85 -47.67 -46.3 29.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.447 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 2.4 t70 -48.27 -42.33 30.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 65' ' ' PRO . 22.6 mtt-85 -69.82 -37.98 76.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.63 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 5.0 m-85 -62.03 -44.33 96.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.704 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.1 mm? -74.1 -55.26 6.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -50.65 -51.7 46.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.442 ' HB2' HG23 ' A' ' 48' ' ' VAL . 11.1 mm-40 -80.41 12.3 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 43.9 35.34 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.826 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.513 HG13 HD23 ' A' ' 52' ' ' LEU . 92.9 t -59.74 102.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.0 p30 -93.66 163.53 13.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.43 ' N ' ' CG2' ' A' ' 25' ' ' VAL . . . -40.87 -62.85 1.61 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.473 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -37.32 -51.6 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 110.862 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.513 HD23 HG13 ' A' ' 48' ' ' VAL . 42.9 tp -66.87 -39.67 87.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.632 ' HA ' HD12 ' A' ' 56' ' ' LEU . 16.6 tp -56.16 -37.94 70.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.449 ' HA ' HD21 ' A' ' 81' ' ' LEU . 48.2 mt -71.69 -50.3 31.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 51' ' ' ARG . 48.8 p -54.66 -44.4 73.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 53' ' ' LEU . 60.4 mt -44.24 142.81 1.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.939 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' GLU . 72.7 p -129.0 167.16 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' THR . 1.2 tm-20 -35.41 -46.02 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 62' ' ' SER . 4.7 mt-10 -62.56 -72.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' GLU . 32.6 mt-10 -35.91 -46.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.762 ' HB3' HD12 ' A' ' 68' ' ' ILE . 10.6 m-85 -61.37 -42.41 98.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 59' ' ' GLU . 29.8 t -79.54 -4.8 53.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -99.08 148.28 24.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.549 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -56.72 153.69 20.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.59 0.709 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.9 Cg_endo -69.74 -40.35 1.12 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.376 -0.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.501 ' O ' ' N ' ' A' ' 68' ' ' ILE . 0.6 OUTLIER -37.09 -45.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 66' ' ' TYR . 10.8 t 35.79 30.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.762 HD12 ' HB3' ' A' ' 61' ' ' PHE . 91.9 mt -41.45 107.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -100.3 -23.75 14.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 71' ' ' SER . 10.2 m-20 -78.78 84.85 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 72' ' ' SER . 15.3 t -34.34 -57.3 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.639 ' O ' HG23 ' A' ' 76' ' ' VAL . 36.3 m -34.59 -45.88 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.86 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -58.76 -55.97 28.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 74' ' ' ARG . 14.2 mtm105 -48.9 -45.33 41.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -44.7 95.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 72' ' ' SER . 58.7 t -63.29 -53.0 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.149 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.4 mt -58.24 -58.81 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.9 mt -54.74 -57.34 11.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.5 m -51.88 -54.54 28.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.534 ' CD ' HD22 ' A' ' 32' ' ' LEU . 9.6 mm-40 -56.66 -43.71 80.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.449 HD21 ' HA ' ' A' ' 54' ' ' LEU . 9.1 tp -59.63 -42.41 92.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -56.04 -21.89 24.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -86.73 -66.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.669 HG23 HG21 ' A' ' 17' ' ' VAL . 20.4 m -47.14 -30.96 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 86' ' ' SER . 8.0 ptm180 -79.07 -39.78 32.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.444 ' N ' ' HG3' ' A' ' 85' ' ' ARG . 1.6 m -78.39 135.53 37.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.29 68.26 0.55 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.486 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -41.85 3.87 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.0 p -113.83 140.4 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 87.9 p -113.91 140.34 48.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.838 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.453 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -160.04 145.4 15.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -64.43 97.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.59 -110.48 0.7 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t 55.76 42.28 29.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.348 . . . . 0.0 110.847 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 t -143.87 127.72 17.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.29 142.93 10.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.466 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -122.12 176.04 6.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.529 ' HB2' ' NE2' ' A' ' 31' ' ' GLN . 31.7 p-80 -117.86 103.26 9.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.34 -36.95 0.86 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.474 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.746 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -74.65 -4.82 39.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 110.923 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.482 ' N ' HD13 ' A' ' 11' ' ' LEU . 21.4 mt -58.21 -44.74 88.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.7 m -70.66 -16.94 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -81.88 -39.41 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -95.33 126.77 40.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.508 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . -43.49 139.7 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.685 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 68.2 t -71.4 -33.07 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.481 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -70.35 -0.36 8.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.508 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 5.1 mptp? -113.58 -3.92 13.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.685 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 43.0 m0 -64.12 173.16 2.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' GLU . 24.6 p -124.45 155.99 37.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.5 m -39.72 -26.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 21' ' ' THR . 16.7 tt0 -78.66 -52.06 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -63.61 -40.37 96.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.3 t -49.93 -50.35 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.605 HG21 ' CD2' ' A' ' 44' ' ' LEU . 94.4 t -68.9 -32.94 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.407 ' HA ' HD23 ' A' ' 27' ' ' LEU . 11.5 mt -61.69 -51.99 66.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.599 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 25.6 t90 -57.74 -42.12 83.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.634 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 19.7 tp -73.18 -26.43 61.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.947 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -77.12 7.95 4.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.529 ' NE2' ' HB2' ' A' ' 9' ' ' HIS . 49.2 mt-30 -110.88 -30.02 7.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.671 HD13 HG12 ' A' ' 76' ' ' VAL . 5.7 mt -61.16 -26.63 67.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.04 163.8 28.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -21.04 33.94 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.492 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 12.0 p-90 -71.69 -14.54 62.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.634 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -59.24 -26.8 65.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 t -70.46 -11.6 61.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.2 mt -87.32 -10.89 51.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.556 ' CD1' ' CE1' ' A' ' 73' ' ' HIS . 76.0 m-85 -117.62 -27.72 6.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.439 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 13.8 ptt85 -37.54 -47.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.439 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 2.9 t70 -46.5 -44.55 17.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.435 ' CD ' ' HA ' ' A' ' 66' ' ' TYR . 45.3 mtt-85 -67.26 -28.04 67.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.632 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 48.7 m-85 -74.56 -45.12 47.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.605 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.0 mm? -71.74 -54.45 10.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -50.67 -49.55 56.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.41 ' HB2' HG23 ' A' ' 48' ' ' VAL . 80.0 mm-40 -83.34 9.34 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 42.29 39.17 1.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.604 ' HA ' HD23 ' A' ' 52' ' ' LEU . 93.2 t -63.37 96.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -85.87 168.33 14.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.41 -57.77 7.07 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 55' ' ' THR . 1.3 tmt_? -43.85 -42.82 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' A' ' 48' ' ' VAL . 58.5 tp -72.79 -40.42 65.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.647 ' HA ' HD12 ' A' ' 56' ' ' LEU . 33.0 tp -53.93 -41.23 67.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 55.0 mt -67.36 -49.22 64.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 51' ' ' ARG . 43.3 p -58.74 -22.15 57.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 53' ' ' LEU . 55.3 mt -72.42 133.26 44.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.6 p -110.82 169.55 8.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -52.57 -16.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.51 -57.79 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -46.86 -41.77 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.865 ' HB3' HD12 ' A' ' 68' ' ' ILE . 47.2 m-85 -60.01 -32.01 70.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.5 t -87.21 14.75 7.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -114.56 149.08 37.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.551 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -58.95 152.29 50.71 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.581 0.705 . . . . 0.0 111.097 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 54.4 Cg_endo -69.7 -31.62 4.42 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.397 -0.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.469 ' O ' ' N ' ' A' ' 68' ' ' ILE . 2.5 m-85 -38.28 -45.28 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 65' ' ' PRO . 13.3 t 33.29 35.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.865 HD12 ' HB3' ' A' ' 61' ' ' PHE . 53.0 mt -47.23 91.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.174 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 67' ' ' THR . 18.8 mt-10 -85.55 21.48 1.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -132.42 105.13 7.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 74' ' ' ARG . 1.8 m -53.81 -59.88 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.568 ' O ' HG23 ' A' ' 76' ' ' VAL . 52.0 m -36.06 -43.21 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.568 ' HD2' HD13 ' A' ' 68' ' ' ILE . 71.5 t60 -61.22 -45.54 94.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.775 ' HG3' HG21 ' A' ' 68' ' ' ILE . 46.4 mtm180 -62.91 -44.72 95.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -46.71 75.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.671 HG12 HD13 ' A' ' 32' ' ' LEU . 60.5 t -59.33 -47.27 91.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.497 HG22 HD12 ' A' ' 81' ' ' LEU . 76.5 mt -66.1 -61.59 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.519 HD21 ' CD2' ' A' ' 61' ' ' PHE . 4.5 mm? -52.56 -60.45 3.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 75.5 m -46.1 -61.47 1.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -54.22 -39.37 66.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.599 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 5.2 mt -64.7 -35.65 81.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -64.07 -28.9 70.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -81.9 -55.66 4.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.522 HG22 ' HA ' ' A' ' 81' ' ' LEU . 22.7 m -53.22 -36.9 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -85.73 -175.04 5.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.9 t -65.51 103.22 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.78 71.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.82 104.64 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.731 2.287 . . . . 0.0 112.295 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.6 t 39.79 42.02 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -134.91 155.3 50.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -54.38 132.7 44.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.359 . . . . 0.0 110.884 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 m -158.57 167.23 30.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.829 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.27 -176.94 29.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -126.37 -45.46 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.86 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 t -161.75 140.24 9.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.37 118.56 3.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.476 ' N ' ' CD ' ' A' ' 8' ' ' GLU . 1.1 pm0 -166.49 125.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -127.04 103.9 7.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.813 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.28 -30.14 1.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.774 HD22 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -87.26 1.88 51.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.888 0.375 . . . . 0.0 110.949 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.685 HD12 ' CZ2' ' A' ' 20' ' ' TRP . 4.4 mm? -62.52 -61.81 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.1 m -47.42 -32.86 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -78.15 -65.28 1.0 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -60.66 123.19 16.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB1' ' OD1' ' A' ' 18' ' ' ASP . . . -44.8 139.78 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.731 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 87.1 t -69.83 -32.04 50.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.492 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 5.1 p-10 -66.79 -3.87 7.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -113.04 -2.33 14.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.731 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 44.3 m0 -64.86 163.37 14.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' GLU . 24.1 p -119.65 154.71 33.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 21' ' ' THR . 1.4 m -37.25 -28.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 21' ' ' THR . 7.4 tt0 -76.92 -54.55 6.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.85 -41.84 98.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 1.015 HG13 HD12 ' A' ' 53' ' ' LEU . 47.8 t -47.88 -51.68 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.185 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.719 HG21 ' CD2' ' A' ' 44' ' ' LEU . 99.3 t -67.96 -34.67 68.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.03 -54.83 41.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.617 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 34.2 t90 -55.41 -42.57 74.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.467 HD22 ' CZ ' ' A' ' 43' ' ' PHE . 12.2 tp -73.1 -25.63 60.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -78.14 8.58 4.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -111.96 -30.45 7.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.671 HD13 HG12 ' A' ' 76' ' ' VAL . 6.6 mt -60.54 -29.48 69.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.45 165.27 32.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.458 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -25.55 28.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.631 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 9.7 p-90 -66.11 -17.47 64.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.492 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -52.96 -39.28 62.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.7 t -59.47 -11.81 5.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.6 mt -84.12 -18.71 35.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.467 ' CZ ' ' ND1' ' A' ' 73' ' ' HIS . 76.4 m-85 -113.19 -32.28 6.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.468 ' HB2' HG13 ' A' ' 26' ' ' VAL . 7.9 ptm180 -37.88 -46.64 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.446 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 31.3 m-20 -46.72 -44.28 18.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.8 mtt-85 -67.78 -37.3 81.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.467 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 73.5 m-85 -62.16 -43.82 97.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.719 ' CD2' HG21 ' A' ' 26' ' ' VAL . 2.9 mm? -70.77 -56.25 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -51.79 -44.56 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' ARG . 76.7 mm-40 -88.02 16.01 6.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' GLU . 32.0 mmt180 34.37 41.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.624 ' HA ' HD23 ' A' ' 52' ' ' LEU . 61.1 t -65.96 95.31 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -82.07 168.42 17.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -50.55 -56.11 14.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.455 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -49.31 -34.71 16.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.624 HD23 ' HA ' ' A' ' 48' ' ' VAL . 26.7 tp -80.92 -35.11 32.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.015 HD12 HG13 ' A' ' 25' ' ' VAL . 2.0 tt -62.16 -42.03 98.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.82 -45.71 92.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 51' ' ' ARG . 68.8 p -57.33 -42.93 82.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.155 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.525 HD13 ' CE1' ' A' ' 61' ' ' PHE . 70.1 mt -55.76 141.65 37.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.496 ' N ' ' OE2' ' A' ' 60' ' ' GLU . 30.6 p -124.01 -174.9 3.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.421 ' HB2' HD11 ' A' ' 78' ' ' LEU . 31.2 tt0 -60.84 -18.2 54.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -82.71 -55.78 4.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.496 ' OE2' ' N ' ' A' ' 57' ' ' THR . 1.6 mp0 -50.36 -52.25 38.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.899 ' HB3' HD12 ' A' ' 68' ' ' ILE . 22.4 m-85 -58.32 -28.32 64.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.1 t -77.88 -31.89 51.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.3 ptt85 -94.03 164.95 12.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.729 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -61.93 162.32 17.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.541 0.686 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.729 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.7 Cg_endo -69.81 -44.77 0.47 Allowed 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.298 0.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.589 ' O ' HG22 ' A' ' 67' ' ' THR . 3.6 m-85 -41.2 -48.88 3.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 66' ' ' TYR . 10.9 t 44.76 29.13 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.899 HD12 ' HB3' ' A' ' 61' ' ' PHE . 17.6 mt -34.14 94.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 67' ' ' THR . 26.8 mt-10 -85.95 43.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -154.98 106.28 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 72' ' ' SER . 66.0 m -57.93 -54.64 44.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.448 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.4 t -35.47 -50.9 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.923 ' NE2' HD11 ' A' ' 77' ' ' ILE . 13.8 t-160 -60.82 -47.25 87.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.435 ' NH1' ' O ' ' A' ' 68' ' ' ILE . 50.6 mtm-85 -57.43 -43.17 83.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.814 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -58.19 -39.0 77.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.671 HG12 HD13 ' A' ' 32' ' ' LEU . 60.0 t -66.97 -51.77 51.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.923 HD11 ' NE2' ' A' ' 73' ' ' HIS . 97.3 mt -59.25 -60.7 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.421 HD11 ' HB2' ' A' ' 58' ' ' GLU . 31.0 mt -53.8 -61.67 2.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.5 m -43.68 -62.45 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -54.83 -41.44 70.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.828 HD11 ' CD2' ' A' ' 53' ' ' LEU . 4.7 mt -57.76 -32.43 67.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -69.72 -26.12 64.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 86' ' ' SER . 16.9 mtp180 -79.3 -55.89 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.403 HG23 HG21 ' A' ' 17' ' ' VAL . 15.9 m -55.46 -41.62 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 86' ' ' SER . 7.3 ptm180 -72.94 -42.89 62.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.421 ' N ' ' CG ' ' A' ' 85' ' ' ARG . 3.9 t -114.0 117.79 32.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -154.36 -70.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -8.46 23.66 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.345 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.4 t -61.86 174.35 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.9 m -101.86 164.5 11.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.473 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 t -53.18 140.44 26.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 110.858 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 t -157.67 172.53 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.25 -72.18 1.01 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 t -68.52 143.31 54.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 t -98.12 131.62 44.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.803 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.68 91.09 0.13 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.54 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -88.39 174.65 8.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 0.0 110.91 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.481 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 6.4 p80 -134.81 93.47 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.39 -49.27 0.36 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.878 HD22 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -63.92 -7.7 9.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.845 0.355 . . . . 0.0 110.921 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.621 ' N ' HD13 ' A' ' 11' ' ' LEU . 33.7 mt -55.32 -60.56 3.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.473 HG12 HG12 ' A' ' 84' ' ' VAL . 21.3 m -54.39 -38.23 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.401 ' N ' HG23 ' A' ' 13' ' ' VAL . 24.0 t-80 -56.82 -57.59 11.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -77.02 128.63 34.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.67 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . -48.28 140.12 7.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.526 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 91.1 t -66.44 -31.65 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -70.41 -0.16 7.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.67 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 4.5 mptp? -113.16 -2.41 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.526 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 40.7 m0 -67.68 168.9 10.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 25' ' ' VAL . 24.6 p -122.21 166.23 14.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 47' ' ' ARG . 1.1 m -48.1 -19.56 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -87.68 -55.24 3.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -60.05 -42.77 95.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.791 HG13 HD12 ' A' ' 53' ' ' LEU . 69.5 t -50.16 -51.58 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.675 HG21 ' CD2' ' A' ' 44' ' ' LEU . 95.2 t -68.24 -29.42 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.7 mt -65.67 -53.53 39.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -57.69 -38.44 75.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.454 HD22 ' CZ ' ' A' ' 43' ' ' PHE . 5.6 tp -75.62 -25.69 57.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -79.6 12.3 2.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -116.65 -23.65 8.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.683 HD13 ' HG3' ' A' ' 80' ' ' GLU . 4.4 mt -66.49 -25.61 66.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.07 164.2 29.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -21.51 33.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.373 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.632 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 12.5 p-90 -71.32 -14.51 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.434 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -56.93 -38.78 73.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 t -60.79 -14.89 24.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.5 mt -83.15 -12.56 56.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.457 ' CD1' ' CE1' ' A' ' 73' ' ' HIS . 70.6 m-85 -119.16 -29.19 5.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' TYR . 7.8 ptm180 -38.42 -45.41 1.02 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -46.57 -48.26 19.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.1 mtt-85 -61.67 -40.88 96.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.454 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 34.8 m-85 -59.48 -49.69 76.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.675 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.0 mm? -66.23 -56.07 13.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -51.97 -47.73 64.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -84.87 2.72 41.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.465 ' HA ' ' CG2' ' A' ' 22' ' ' THR . 0.0 OUTLIER 43.91 46.44 6.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.598 ' HA ' HD23 ' A' ' 52' ' ' LEU . 96.5 t -69.44 87.23 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -73.6 159.12 33.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.426 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -40.57 -56.11 3.05 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.458 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.623 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -44.85 -46.84 10.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.888 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.598 HD23 ' HA ' ' A' ' 48' ' ' VAL . 52.9 tp -72.12 -31.26 65.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.791 HD12 HG13 ' A' ' 25' ' ' VAL . 1.6 tt -61.79 -44.06 97.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.855 HD23 HD21 ' A' ' 81' ' ' LEU . 77.3 mt -67.77 -46.63 71.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 51' ' ' ARG . 55.2 p -55.45 -35.85 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 53' ' ' LEU . 28.4 mt -53.32 152.94 4.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.0 p -126.6 166.93 16.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -55.15 -20.37 10.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.59 -63.89 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -43.15 -45.41 5.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.552 ' HB3' HD12 ' A' ' 68' ' ' ILE . 17.7 m-85 -55.01 -35.52 64.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -78.3 -26.92 47.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -82.49 168.63 17.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.637 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -73.32 159.75 84.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.717 . . . . 0.0 111.108 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.637 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.8 Cg_endo -69.69 -44.15 0.54 Allowed 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.355 -0.067 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.5 m-85 -32.06 -39.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.769 ' O ' HG23 ' A' ' 67' ' ' THR . 1.3 t 32.56 34.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.552 HD12 ' HB3' ' A' ' 61' ' ' PHE . 59.2 mt -51.14 93.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.085 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -78.59 -22.41 47.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -87.49 88.08 7.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 74' ' ' ARG . 55.1 m -40.16 -53.56 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.492 ' O ' HG23 ' A' ' 76' ' ' VAL . 4.1 m -34.37 -42.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.514 ' HD2' HD13 ' A' ' 68' ' ' ILE . 75.8 t60 -59.95 -47.67 84.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 71' ' ' SER . 16.3 mtm105 -61.05 -41.3 96.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.415 ' HD3' ' C ' ' A' ' 75' ' ' ARG . 3.6 tmt_? -58.95 -44.84 91.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.632 HG11 ' HZ2' ' A' ' 35' ' ' TRP . 66.9 t -62.69 -49.59 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.466 HD11 ' NE2' ' A' ' 73' ' ' HIS . 57.6 mt -62.11 -62.06 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.0 mt -51.56 -54.64 25.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.6 m -55.65 -52.75 62.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.683 ' HG3' HD13 ' A' ' 32' ' ' LEU . 12.3 mm-40 -58.44 -36.63 73.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.855 HD21 HD23 ' A' ' 54' ' ' LEU . 4.2 tp -69.25 -33.73 73.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -63.12 -22.88 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -87.15 -55.27 3.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.544 HG22 ' HA ' ' A' ' 81' ' ' LEU . 13.8 m -55.45 -38.28 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.489 ' CG ' ' N ' ' A' ' 86' ' ' SER . 5.2 ptm180 -75.13 -47.47 28.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.489 ' N ' ' CG ' ' A' ' 85' ' ' ARG . 5.1 t -46.36 -65.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.409 ' HA3' ' HD2' ' A' ' 88' ' ' PRO . . . 121.57 -136.36 11.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.508 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.409 ' HD2' ' HA3' ' A' ' 87' ' ' GLY . 54.0 Cg_endo -69.76 99.8 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.644 2.23 . . . . 0.0 112.382 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.3 m -156.51 141.05 16.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.8 t -77.25 -50.45 12.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.822 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.2 m 48.78 46.93 21.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 110.829 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 m -137.22 126.15 24.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.04 47.67 3.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.9 p -96.18 101.17 12.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 110.854 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m 52.11 28.91 5.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.908 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.18 99.11 1.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -117.14 167.75 10.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.448 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 27.9 p-80 -129.48 116.04 18.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.04 -32.07 2.39 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.774 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -78.51 -4.19 47.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.905 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.71 -57.58 12.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -57.18 -37.77 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -62.89 -54.91 31.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -79.71 126.28 30.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.616 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . -46.89 142.11 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.041 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.666 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 86.6 t -68.28 -31.64 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.439 ' OD1' ' CD ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -69.13 -1.3 7.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.616 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 3.9 mptp? -112.59 -5.06 14.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.666 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 41.2 m0 -64.54 166.55 8.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' GLU . 22.9 p -119.33 157.94 27.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -39.88 -25.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.1 tt0 -79.8 -57.84 3.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -58.78 -40.44 84.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.852 HG13 HD12 ' A' ' 53' ' ' LEU . 55.5 t -51.37 -48.58 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.635 HG21 ' CD2' ' A' ' 44' ' ' LEU . 93.5 t -71.06 -32.94 49.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.8 mt -62.27 -53.85 49.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -56.5 -40.44 74.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.481 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 8.2 tp -74.64 -27.28 60.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -77.77 8.46 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -111.72 -27.94 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.472 HD13 HG12 ' A' ' 76' ' ' VAL . 5.3 mt -62.43 -25.14 67.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.92 165.38 30.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -23.84 30.67 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.337 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.634 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 13.2 p-90 -69.66 -15.44 63.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.481 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -55.43 -31.25 61.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.079 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 t -68.06 -9.72 48.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.9 mt -85.14 -11.4 55.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.641 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 74.5 m-85 -120.14 -31.54 4.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.434 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 6.8 ptm180 -37.02 -46.94 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.796 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -45.31 -46.56 12.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 42' ' ' ARG . 1.7 mtp-105 -67.45 -39.14 85.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.413 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 35.0 m-85 -58.94 -42.97 91.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.635 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.2 mm? -74.11 -55.07 6.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -52.33 -45.06 65.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 47' ' ' ARG . 6.8 mm-40 -87.09 16.14 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 46' ' ' GLU . 11.1 mmt85 35.54 39.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.515 HG13 HD23 ' A' ' 52' ' ' LEU . 43.8 t -64.39 103.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -88.47 165.41 14.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -48.12 -47.54 26.69 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.459 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.16 -39.89 66.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 0.0 110.815 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.515 HD23 HG13 ' A' ' 48' ' ' VAL . 24.3 tp -74.62 -37.28 62.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.852 HD12 HG13 ' A' ' 25' ' ' VAL . 2.7 tt -59.43 -37.45 78.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.642 HD23 HD21 ' A' ' 81' ' ' LEU . 33.5 mt -65.16 -51.81 58.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.9 p -51.54 -48.58 63.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.909 HD13 ' CE1' ' A' ' 61' ' ' PHE . 57.1 mt -44.77 139.25 3.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.957 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 66.2 p -122.77 -179.16 4.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -56.41 -17.96 9.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.5 tt0 -90.81 -64.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -40.26 -34.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.909 ' CE1' HD13 ' A' ' 56' ' ' LEU . 14.8 m-85 -74.93 -37.38 62.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 59' ' ' GLU . 46.6 t -73.58 -25.29 60.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -102.16 165.15 11.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.64 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -58.8 159.98 11.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.515 0.674 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.64 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.5 Cg_endo -69.74 -46.27 0.37 Allowed 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.361 -0.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.516 ' O ' HG22 ' A' ' 67' ' ' THR . 2.7 m-85 -42.24 -43.16 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 66' ' ' TYR . 9.3 t 42.3 26.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.175 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.728 HD12 ' HB3' ' A' ' 61' ' ' PHE . 52.3 mt -37.55 92.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 67' ' ' THR . 19.6 mt-10 -81.61 42.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -150.99 108.59 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 74' ' ' ARG . 74.8 m -57.98 -61.31 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.568 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.4 t -36.38 -45.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.767 ' CE1' HD11 ' A' ' 77' ' ' ILE . 57.9 t-80 -59.21 -47.58 84.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 71' ' ' SER . 71.0 mtm-85 -61.59 -44.39 97.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.401 ' HD3' ' C ' ' A' ' 75' ' ' ARG . 2.5 tmt_? -55.87 -45.02 78.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.589 HG11 ' HZ2' ' A' ' 35' ' ' TRP . 57.4 t -61.5 -48.22 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.767 HD11 ' CE1' ' A' ' 73' ' ' HIS . 76.7 mt -62.56 -60.19 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 23.7 mt -52.01 -62.99 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.1 m -45.04 -64.45 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -49.87 -45.63 50.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.642 HD21 HD23 ' A' ' 54' ' ' LEU . 7.6 tp -55.91 -41.13 74.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.17 -40.45 70.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.8 mtp85 -68.07 -63.42 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.473 ' CG2' ' HA ' ' A' ' 81' ' ' LEU . 5.8 m -45.26 -46.24 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 86' ' ' SER . 7.3 ptm180 -71.45 -43.93 65.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.458 ' N ' ' HG3' ' A' ' 85' ' ' ARG . 16.7 t -68.27 135.05 51.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -177.99 115.52 0.5 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 171.99 13.49 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.729 2.286 . . . . 0.0 112.309 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.6 m -71.23 125.82 27.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.3 t -72.85 -56.53 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 p -152.66 118.96 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.84 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -67.35 153.23 44.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.47 93.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 p -54.29 121.9 9.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 110.823 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -170.5 138.56 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.19 136.81 8.65 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -117.23 144.56 44.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.353 . . . . 0.0 110.929 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 -118.09 102.26 8.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.41 -40.7 0.37 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.448 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.706 HD22 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -76.63 1.23 17.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.353 . . . . 0.0 110.919 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.408 ' N ' HD13 ' A' ' 11' ' ' LEU . 18.2 mt -59.51 -55.57 32.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 14' ' ' HIS . 35.9 m -56.71 -39.85 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.409 ' N ' HG23 ' A' ' 13' ' ' VAL . 13.2 m80 -62.88 -57.09 12.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.418 ' HE2' ' C ' ' A' ' 19' ' ' LYS . 55.9 tttt -71.71 123.11 21.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.55 134.42 19.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.063 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.615 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 81.7 t -59.12 -33.58 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.478 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -67.02 -3.45 7.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.437 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 0.7 OUTLIER -112.99 -1.88 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.615 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 43.1 m0 -66.54 166.17 13.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.483 ' O ' HG23 ' A' ' 25' ' ' VAL . 9.8 p -116.21 160.28 20.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -38.37 -34.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.88 -63.59 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -46.85 -42.92 18.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 1.072 HG13 HD12 ' A' ' 53' ' ' LEU . 89.7 t -51.44 -47.93 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.139 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.859 HG21 ' CD2' ' A' ' 44' ' ' LEU . 97.9 t -70.82 -32.12 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 27' ' ' LEU . 11.4 mt -62.45 -53.67 51.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.575 ' CD1' HG11 ' A' ' 84' ' ' VAL . 28.5 t90 -57.72 -40.86 80.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.927 HD22 ' CZ ' ' A' ' 43' ' ' PHE . 8.0 tp -74.9 -26.21 59.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' HA ' ' HB3' ' A' ' 36' ' ' ALA . 16.3 mt-10 -78.86 10.2 3.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -114.8 -28.31 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.602 HD22 ' CG ' ' A' ' 80' ' ' GLU . 7.1 mt -61.14 -24.06 66.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.68 166.32 32.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -25.08 29.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.71 2.273 . . . . 0.0 112.348 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.644 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 13.0 p-90 -68.17 -16.46 64.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 29' ' ' LEU . . . -60.28 -25.03 65.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.078 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.9 t -71.4 -14.01 62.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mt -85.53 -14.67 45.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.962 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 42' ' ' ARG . 20.1 m-85 -111.9 -28.95 7.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.452 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 14.2 ptt180 -34.99 -49.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.452 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 1.8 t70 -53.15 -44.23 67.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' TYR . 9.6 mtp85 -63.13 -31.2 72.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.927 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 15.5 m-85 -70.4 -56.17 7.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.859 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.2 mm? -59.47 -55.29 36.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -50.56 -52.31 40.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.409 ' HB2' HG23 ' A' ' 48' ' ' VAL . 25.4 mm-40 -77.02 7.8 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 46.74 34.74 2.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.96 HG13 HD12 ' A' ' 52' ' ' LEU . 86.2 t -60.81 98.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 50' ' ' GLY . 24.2 p-10 -90.43 158.01 17.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 49' ' ' ASN . . . -34.14 -64.51 0.38 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -49.2 4.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.96 HD12 HG13 ' A' ' 48' ' ' VAL . 3.3 tm? -62.01 -49.36 76.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.072 HD12 HG13 ' A' ' 25' ' ' VAL . 1.2 tt -50.08 -42.47 50.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 20.6 mt -62.37 -56.05 22.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.1 p -47.86 -34.99 9.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' ' 53' ' ' LEU . 55.7 mt -59.67 136.1 57.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.424 HG23 ' OE1' ' A' ' 60' ' ' GLU . 24.5 p -128.77 170.56 13.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.459 ' CB ' HD11 ' A' ' 78' ' ' LEU . 20.3 tt0 -44.26 -26.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.75 -65.06 1.04 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.424 ' OE1' HG23 ' A' ' 57' ' ' THR . 2.0 mp0 -44.11 -50.6 8.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.915 ' HB3' HD12 ' A' ' 68' ' ' ILE . 23.5 m-85 -55.05 -33.82 63.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.4 t -72.59 -21.51 61.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 88.6 mtt-85 -98.56 162.42 13.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.843 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.69 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -65.3 161.43 50.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.615 0.722 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.69 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.5 Cg_endo -69.75 -44.78 0.47 Allowed 'Cis proline' 0 C--N 1.342 0.217 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.337 -0.02 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 68' ' ' ILE . 2.9 m-85 -39.09 -40.73 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.95 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' TYR . 8.6 t 37.05 28.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.915 HD12 ' HB3' ' A' ' 61' ' ' PHE . 95.8 mt -41.25 107.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -100.4 -23.54 14.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 71' ' ' SER . 3.0 m-20 -77.84 94.58 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 70' ' ' ASN . 3.1 m -34.23 -56.9 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.844 ' O ' HG23 ' A' ' 76' ' ' VAL . 73.8 m -36.54 -50.43 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.644 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 5.6 t-80 -53.03 -51.03 63.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -61.87 -49.58 75.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -55.94 -39.92 72.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 72' ' ' SER . 52.9 t -68.93 -62.79 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.612 HD11 ' CE1' ' A' ' 73' ' ' HIS . 84.6 mt -49.46 -60.9 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.459 HD11 ' CB ' ' A' ' 58' ' ' GLU . 21.1 mt -49.81 -64.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.5 m -45.41 -67.59 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.602 ' CG ' HD22 ' A' ' 32' ' ' LEU . 32.2 mm-40 -46.77 -44.12 18.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.415 HD23 ' NH2' ' A' ' 85' ' ' ARG . 12.8 tp -61.78 -31.92 72.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.419 ' HA ' ' NE ' ' A' ' 85' ' ' ARG . 6.3 tp10 -68.56 -16.23 63.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -94.58 -63.08 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.575 HG11 ' CD1' ' A' ' 28' ' ' TRP . 6.8 m -44.9 -33.29 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.076 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 86' ' ' SER . 10.3 ptp180 -75.75 -44.05 43.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.464 ' N ' ' HG3' ' A' ' 85' ' ' ARG . 9.6 t -61.82 -55.98 24.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 42.88 58.8 3.52 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.513 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 -48.3 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.331 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.6 t -129.43 170.14 14.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.8 t -77.0 -58.11 3.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 m -40.0 -46.78 2.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 110.88 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -74.87 137.08 41.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.94 139.34 14.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.472 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -85.91 -51.16 6.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.932 0.396 . . . . 0.0 110.889 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 t -70.85 -57.88 4.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.95 142.35 3.26 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -129.05 175.51 8.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 10.5 p-80 -113.81 113.96 25.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.93 -45.95 0.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.483 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.788 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -65.43 -9.87 29.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.339 . . . . 0.0 110.919 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.423 ' N ' HD22 ' A' ' 11' ' ' LEU . 32.9 mt -51.51 -54.64 25.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.492 HG23 ' N ' ' A' ' 14' ' ' HIS . 35.8 m -60.07 -44.98 96.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.492 ' N ' HG23 ' A' ' 13' ' ' VAL . 69.9 m80 -53.71 -42.63 68.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.433 ' HE2' ' C ' ' A' ' 19' ' ' LYS . 43.8 tttt -93.36 136.13 33.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.595 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -57.42 145.65 32.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.475 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 85.3 t -70.77 -33.82 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.162 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.44 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -68.55 -2.24 8.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.44 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 1.9 mptp? -113.48 -2.89 13.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 41.4 m0 -66.47 173.34 3.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' GLU . 24.5 p -127.26 159.18 35.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.455 HG22 HD13 ' A' ' 44' ' ' LEU . 1.7 m -40.06 -25.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.3 tt0 -79.35 -58.83 3.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -59.66 -41.9 91.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.733 HG13 HD22 ' A' ' 53' ' ' LEU . 94.7 t -50.31 -51.72 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.636 HG21 ' CD2' ' A' ' 44' ' ' LEU . 91.8 t -68.75 -33.19 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 27' ' ' LEU . 12.0 mt -61.89 -53.91 49.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.577 ' CD1' HG11 ' A' ' 84' ' ' VAL . 24.5 t90 -56.39 -40.46 74.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.457 HD22 ' CZ ' ' A' ' 43' ' ' PHE . 9.8 tp -75.03 -25.77 58.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -79.2 8.14 6.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -111.5 -29.51 7.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.598 HD22 ' CD ' ' A' ' 80' ' ' GLU . 5.6 mt -59.75 -25.51 64.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.77 165.02 29.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -21.96 32.49 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.646 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 11.6 p-90 -71.09 -14.56 62.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.438 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -55.67 -27.28 49.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.8 t -68.61 -9.77 51.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.42 HD12 ' HB2' ' A' ' 35' ' ' TRP . 34.3 mt -80.86 -23.51 39.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.807 ' CD1' ' CE1' ' A' ' 73' ' ' HIS . 49.3 m-85 -113.17 -36.49 5.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.543 ' HB2' HG13 ' A' ' 26' ' ' VAL . 7.8 ptm180 -33.98 -44.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.436 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 1.1 m-20 -49.98 -48.15 52.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' TYR . 1.7 mtp-105 -64.55 -38.32 90.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.457 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 61.7 m-85 -58.03 -42.59 85.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.636 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.0 mm? -72.43 -56.28 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -52.74 -46.03 67.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.82 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.409 ' HB2' HG23 ' A' ' 48' ' ' VAL . 71.1 mm-40 -82.59 9.15 10.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 43.32 35.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.76 HG13 HD23 ' A' ' 52' ' ' LEU . 89.9 t -62.63 103.53 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.438 ' C ' HG21 ' A' ' 25' ' ' VAL . 12.0 p-10 -90.16 173.63 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.423 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -48.19 -62.47 4.26 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.448 ' C ' ' HD2' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -37.21 -59.32 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.831 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.76 HD23 HG13 ' A' ' 48' ' ' VAL . 54.2 tp -55.75 -42.37 75.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.733 HD22 HG13 ' A' ' 25' ' ' VAL . 40.6 tp -57.33 -32.27 66.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.2 mt -76.33 -45.05 34.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.3 p -59.63 -46.15 89.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.708 HD13 ' CE1' ' A' ' 61' ' ' PHE . 44.0 mt -45.78 130.17 9.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.4 p -106.88 172.88 6.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.401 ' HA ' HD11 ' A' ' 78' ' ' LEU . 11.9 tt0 -56.89 -13.92 3.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -95.06 -58.07 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 28.6 mm-40 -46.02 -40.43 10.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.708 ' CE1' HD13 ' A' ' 56' ' ' LEU . 11.5 m-85 -59.69 -34.38 72.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 74' ' ' ARG . 22.4 t -87.34 2.09 51.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -109.45 146.48 34.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.544 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -52.67 153.4 5.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.548 0.689 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.2 Cg_endo -69.81 -45.9 0.39 Allowed 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.306 0.07 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 68' ' ' ILE . 8.8 m-85 -35.2 -44.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 65' ' ' PRO . 13.2 t 32.39 37.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.697 HD12 ' HB3' ' A' ' 61' ' ' PHE . 70.8 mt -45.47 92.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' THR . 17.8 mt-10 -81.21 41.97 0.63 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -152.51 107.47 3.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 74' ' ' ARG . 60.3 m -59.95 -58.73 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.602 ' O ' HG23 ' A' ' 76' ' ' VAL . 44.9 m -35.58 -38.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.807 ' CE1' ' CD1' ' A' ' 39' ' ' TYR . 73.6 t60 -68.33 -47.19 68.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 71' ' ' SER . 43.0 mtm180 -59.52 -41.82 90.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -49.74 75.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.646 HG11 ' HZ2' ' A' ' 35' ' ' TRP . 59.5 t -57.02 -46.03 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.484 HD11 ' NE2' ' A' ' 73' ' ' HIS . 56.5 mt -64.5 -61.15 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.401 HD11 ' HA ' ' A' ' 58' ' ' GLU . 16.4 mt -52.11 -60.68 2.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 90.0 m -48.02 -58.38 4.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.598 ' CD ' HD22 ' A' ' 32' ' ' LEU . 21.9 mm-40 -55.09 -39.42 69.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.496 ' HA ' HG22 ' A' ' 84' ' ' VAL . 6.8 tp -61.03 -34.8 75.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -61.8 -31.94 72.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.419 ' HA ' ' CG ' ' A' ' 88' ' ' PRO . 32.0 mtp85 -76.54 -54.03 7.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.577 HG11 ' CD1' ' A' ' 28' ' ' TRP . 17.1 m -60.53 -35.99 66.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -84.08 -175.71 5.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.8 t -64.36 161.84 16.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 122.95 -90.01 0.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 89' ' ' SER . 53.9 Cg_endo -69.79 -0.24 6.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 88' ' ' PRO . 61.7 m -34.64 121.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.7 t -161.8 141.79 10.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.1 p -130.94 154.63 47.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.876 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 m -84.4 111.67 19.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.65 -110.85 2.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 t -41.73 105.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.895 0.379 . . . . 0.0 110.839 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -132.08 154.95 48.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.33 143.29 2.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -98.54 146.63 25.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.91 0.386 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.4 ' HB2' HE22 ' A' ' 31' ' ' GLN . 0.0 OUTLIER -124.21 99.89 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.46 -33.99 0.9 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.772 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -79.4 -8.68 59.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.907 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.446 ' N ' HD13 ' A' ' 11' ' ' LEU . 37.5 mt -49.74 -61.05 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.418 HG23 ' N ' ' A' ' 14' ' ' HIS . 34.8 m -50.08 -40.77 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.418 ' N ' HG23 ' A' ' 13' ' ' VAL . 18.6 t-160 -58.75 -59.49 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.406 ' HE2' ' C ' ' A' ' 19' ' ' LYS . 64.3 tttt -73.76 126.01 29.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.498 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . -49.73 136.73 17.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.729 ' HB ' HD11 ' A' ' 54' ' ' LEU . 60.0 t -62.06 -34.65 64.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.184 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -5.43 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 1.5 mptm? -111.47 -2.33 15.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.575 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 42.7 m0 -66.24 172.78 3.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' GLU . 22.6 p -127.96 159.27 35.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 m -40.96 -25.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.6 tt0 -80.37 -57.87 3.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.93 -43.22 91.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.921 HG13 HD12 ' A' ' 53' ' ' LEU . 38.2 t -47.45 -51.25 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.712 HG21 ' CD2' ' A' ' 44' ' ' LEU . 69.6 t -69.25 -35.52 68.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.4 mt -60.12 -51.89 67.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.1 t90 -57.23 -40.56 77.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.462 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 9.4 tp -75.17 -27.46 59.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -78.38 9.74 3.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.4 HE22 ' HB2' ' A' ' 9' ' ' HIS . 60.5 mt-30 -114.27 -22.99 9.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.492 HD13 HG12 ' A' ' 76' ' ' VAL . 5.4 mt -68.59 -26.2 65.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.88 165.6 31.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.49 29.59 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.349 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.74 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 11.7 p-90 -67.88 -16.46 64.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.462 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -55.08 -40.1 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.442 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 9.3 t -59.0 -14.22 8.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.1 mt -80.55 -14.87 57.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.694 ' CZ ' ' CD2' ' A' ' 73' ' ' HIS . 59.1 m-85 -118.96 -33.17 4.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HB2' HG13 ' A' ' 26' ' ' VAL . 6.6 ptm180 -38.97 -41.56 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -52.81 -44.62 66.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.7 mtt-85 -64.65 -40.46 95.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -58.92 -54.91 41.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.712 ' CD2' HG21 ' A' ' 26' ' ' VAL . 2.6 mm? -58.06 -57.16 14.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -53.08 -43.17 66.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -84.59 8.53 16.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 41.61 39.56 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.63 ' HA ' HD23 ' A' ' 52' ' ' LEU . 44.3 t -70.08 107.05 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.484 ' C ' HG21 ' A' ' 25' ' ' VAL . 11.7 p30 -89.23 179.32 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.77 -63.14 4.98 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.428 ' O ' HG23 ' A' ' 55' ' ' THR . 2.6 tpt180 -43.35 -64.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.63 HD23 ' HA ' ' A' ' 48' ' ' VAL . 32.0 tp -46.64 -37.33 8.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.921 HD12 HG13 ' A' ' 25' ' ' VAL . 3.6 tt -64.19 -49.98 69.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.729 HD11 ' HB ' ' A' ' 17' ' ' VAL . 15.3 mt -62.02 -46.29 89.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 51' ' ' ARG . 43.8 p -54.91 -41.24 70.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.853 HD13 ' CE1' ' A' ' 61' ' ' PHE . 21.9 mt -52.83 157.4 1.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.8 p -118.51 168.67 10.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.146 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -61.39 -23.71 65.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.496 ' OE2' ' NE ' ' A' ' 63' ' ' ARG . 1.0 OUTLIER -83.0 -55.23 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -46.14 -45.66 16.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.866 ' HB3' HD12 ' A' ' 68' ' ' ILE . 23.8 m-85 -56.56 -29.59 62.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.423 ' HB2' ' NE ' ' A' ' 74' ' ' ARG . 10.6 t -95.59 7.11 47.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.496 ' NE ' ' OE2' ' A' ' 59' ' ' GLU . 15.9 mmt180 -100.59 -78.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.554 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -177.62 152.99 0.95 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.531 0.682 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.7 Cg_endo -69.76 -40.48 1.1 Allowed 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.313 -0.007 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.604 ' OH ' HG21 ' A' ' 48' ' ' VAL . 4.9 m-85 -35.13 -43.78 0.22 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 68' ' ' ILE . 11.5 t 38.06 26.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.866 HD12 ' HB3' ' A' ' 61' ' ' PHE . 97.5 mt -33.58 99.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -86.52 26.95 1.01 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.443 ' H ' HG22 ' A' ' 68' ' ' ILE . 3.0 t-20 -142.72 105.67 4.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 72' ' ' SER . 16.0 m -51.96 -55.67 18.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.479 ' O ' HG23 ' A' ' 76' ' ' VAL . 3.2 m -34.52 -52.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.694 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 3.2 t60 -56.97 -49.23 76.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.515 ' HG3' HG21 ' A' ' 68' ' ' ILE . 54.5 mtm180 -56.63 -46.35 81.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.408 ' HD3' ' C ' ' A' ' 75' ' ' ARG . 2.4 tmt_? -54.39 -40.25 68.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.74 HG11 ' HZ2' ' A' ' 35' ' ' TRP . 59.8 t -63.54 -50.48 78.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.654 HD11 ' CE1' ' A' ' 73' ' ' HIS . 62.1 mt -61.78 -66.23 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -46.32 -61.79 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.3 m -47.57 -63.99 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -50.88 -35.33 32.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.403 ' HA ' HG22 ' A' ' 84' ' ' VAL . 6.6 tp -67.31 -37.44 83.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.33 -25.28 65.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -82.54 -64.63 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.403 HG22 ' HA ' ' A' ' 81' ' ' LEU . 9.7 m -44.62 -44.28 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 86' ' ' SER . 6.7 ptm180 -71.62 -43.07 66.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.418 ' N ' ' HG3' ' A' ' 85' ' ' ARG . 31.6 t -77.17 154.53 33.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.57 -96.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 136.04 31.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.7 p -103.66 134.39 47.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.8 t -147.43 140.92 25.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.4 m -141.93 160.73 39.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -92.13 149.95 21.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.91 -88.76 0.42 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.45 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 m 38.57 51.48 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.4 p -117.85 128.75 55.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.29 132.16 32.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' HIS . 17.0 tt0 -110.98 43.03 1.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.851 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.51 ' CG ' ' OE1' ' A' ' 31' ' ' GLN . 4.0 t60 -34.74 104.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.97 -57.28 0.38 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.844 HD22 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -73.8 1.4 10.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.832 0.349 . . . . 0.0 110.939 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 28' ' ' TRP . 2.6 mp -64.97 -60.63 2.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.7 m -44.52 -34.78 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -73.8 -65.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 16' ' ' ALA . 20.9 tttt -59.36 108.03 0.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' LYS . . . -35.17 137.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.062 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.558 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 97.1 t -60.97 -30.92 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.413 ' OD1' ' HD2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -65.28 -4.2 5.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' HD2' ' OD1' ' A' ' 18' ' ' ASP . 3.3 mptp? -107.88 -4.62 17.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.558 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 36.7 m0 -68.71 165.61 19.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' GLU . 16.2 p -120.52 157.02 30.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' THR . 2.3 m -37.51 -27.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.0 tt0 -78.87 -61.89 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.3 -45.72 69.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.658 HG13 HD22 ' A' ' 53' ' ' LEU . 91.0 t -45.35 -49.9 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.497 HG13 ' HB2' ' A' ' 40' ' ' ARG . 58.4 t -69.42 -37.56 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.0 mt -58.95 -49.32 78.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.572 ' CZ3' HD21 ' A' ' 53' ' ' LEU . 25.1 t90 -58.17 -39.93 80.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.509 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 8.2 tp -76.4 -28.08 56.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.423 ' HA ' ' HB3' ' A' ' 36' ' ' ALA . 8.5 mt-10 -76.42 7.42 4.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.51 ' OE1' ' CG ' ' A' ' 9' ' ' HIS . 35.6 mt-30 -109.29 -29.68 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.648 HD13 HG12 ' A' ' 76' ' ' VAL . 7.0 mt -61.48 -26.97 68.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.83 165.58 31.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -23.63 30.47 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.671 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 12.1 p-90 -69.61 -15.24 63.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.509 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -56.75 -40.52 75.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.118 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 t -59.82 -14.59 15.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.7 mt -83.44 -11.47 57.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.599 ' CD1' ' NE2' ' A' ' 73' ' ' HIS . 39.7 m-85 -119.64 -33.78 3.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.614 ' O ' HD22 ' A' ' 44' ' ' LEU . 9.7 ptm180 -36.34 -41.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -47.63 -47.49 29.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.8 mtm105 -58.64 -42.14 87.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.458 ' HD2' HG12 ' A' ' 25' ' ' VAL . 2.9 m-85 -58.22 -58.66 7.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.614 HD22 ' O ' ' A' ' 40' ' ' ARG . 1.1 mm? -55.69 -57.45 11.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -51.42 -46.23 62.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -86.6 9.43 18.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 41.11 40.24 1.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.677 HG13 HD23 ' A' ' 52' ' ' LEU . 84.7 t -66.09 102.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -83.77 166.35 18.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' A' ' 17' ' ' VAL . . . -46.67 -59.36 5.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.408 ' HG2' ' OD2' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -41.78 -53.25 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.362 . . . . 0.0 110.881 -179.853 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.677 HD23 HG13 ' A' ' 48' ' ' VAL . 51.2 tp -60.14 -39.11 85.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.71 ' HA ' HD12 ' A' ' 56' ' ' LEU . 24.8 tp -56.73 -35.88 69.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.4 mt -69.01 -54.72 13.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.2 p -51.54 -32.87 29.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 53' ' ' LEU . 69.8 mt -61.02 129.33 40.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' GLU . 80.6 p -122.07 166.65 14.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -38.81 -26.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 57' ' ' THR . 1.3 tt0 -83.01 -66.71 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -41.61 -41.15 2.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.551 ' CD2' HD11 ' A' ' 78' ' ' LEU . 55.1 m-85 -62.85 -38.23 89.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.4 p -77.52 4.54 10.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -112.16 148.61 33.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.642 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -62.58 159.77 40.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 111.097 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.642 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.3 Cg_endo -69.8 -28.61 6.18 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.32 0.045 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.493 ' O ' ' C ' ' A' ' 67' ' ' THR . 1.5 m-85 -46.48 -44.07 17.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.591 ' O ' HG23 ' A' ' 67' ' ' THR . 8.2 t 28.97 42.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.541 HD13 ' ND1' ' A' ' 73' ' ' HIS . 20.6 mt -53.26 91.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -86.14 44.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -148.63 108.99 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 72' ' ' SER . 54.7 m -52.67 -60.9 2.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.655 ' O ' HG23 ' A' ' 76' ' ' VAL . 11.7 t -35.69 -48.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.671 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 2.7 t-80 -54.54 -51.6 64.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.835 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 72.1 mtm-85 -63.83 -47.41 80.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -54.93 -41.85 71.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 72' ' ' SER . 58.1 t -73.08 -53.85 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.571 HD11 ' CE1' ' A' ' 73' ' ' HIS . 54.3 mt -54.58 -64.58 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.551 HD11 ' CD2' ' A' ' 61' ' ' PHE . 10.1 mp -48.55 -68.84 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' LEU . 55.2 m -37.4 -61.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.44 ' HG3' HD13 ' A' ' 32' ' ' LEU . 16.5 mm-40 -56.71 -35.52 68.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.453 ' HA ' HG22 ' A' ' 84' ' ' VAL . 8.3 tp -67.61 -38.26 83.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -60.72 -21.46 62.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.3 mtt-85 -88.31 -61.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.53 HG23 HG21 ' A' ' 17' ' ' VAL . 15.7 m -52.28 -32.72 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 86' ' ' SER . 11.3 ptm180 -75.73 -40.56 55.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.478 ' N ' ' HG3' ' A' ' 85' ' ' ARG . 1.1 m -77.93 173.32 12.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -128.22 146.36 16.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 89' ' ' SER . 53.3 Cg_endo -69.79 2.28 3.69 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 88' ' ' PRO . 11.3 p -35.79 138.28 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.6 t -130.48 163.63 26.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.802 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.538 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.6 p -140.25 172.61 12.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.899 0.38 . . . . 0.0 110.853 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -91.64 -56.03 3.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.817 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.49 -159.24 11.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 p -130.4 -54.56 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.839 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t 64.43 52.9 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.31 103.07 0.53 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.449 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 9' ' ' HIS . 44.8 mt-10 -110.19 105.9 15.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.914 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 8' ' ' GLU . 8.2 p80 -34.8 107.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.66 -38.57 0.76 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.813 HD22 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -73.33 1.81 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.926 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.48 ' N ' HD13 ' A' ' 11' ' ' LEU . 52.0 mt -68.86 -49.22 60.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.7 m -65.0 -24.0 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -82.85 -45.43 14.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.402 ' HD3' ' CD1' ' A' ' 20' ' ' TRP . 20.6 tttp -81.74 134.28 35.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.44 134.99 57.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.58 ' HA ' ' CD1' ' A' ' 20' ' ' TRP . 59.6 t -63.39 -33.45 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.42 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 2.0 p-10 -64.13 -6.13 6.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 4.6 mptp? -113.59 -1.16 14.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.58 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 43.2 m0 -65.94 162.97 18.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.1 p -113.3 156.98 22.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.489 HG22 HD13 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -37.89 -35.26 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -72.3 -59.44 2.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -52.15 -45.37 65.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.675 HG13 HD22 ' A' ' 53' ' ' LEU . 91.7 t -48.59 -50.53 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.918 HG21 ' CD2' ' A' ' 44' ' ' LEU . 90.0 t -69.04 -38.48 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.3 mt -58.08 -50.12 74.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.606 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 25.3 t90 -56.98 -41.14 77.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.59 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 11.3 tp -73.65 -26.94 61.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.951 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -76.73 7.42 4.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -112.31 -21.53 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.596 HD13 HG12 ' A' ' 76' ' ' VAL . 5.9 mt -72.6 -26.64 61.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.3 164.58 31.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -24.97 29.03 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.645 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 12.9 p-90 -66.75 -17.45 64.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.59 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -56.91 -30.82 64.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.6 t -68.76 -9.6 51.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.3 mt -88.31 -10.93 47.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 42' ' ' ARG . 23.1 m-85 -119.23 -23.61 6.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.427 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 14.1 ptt180 -38.81 -48.33 1.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 2.1 m-20 -53.24 -39.86 64.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' TYR . 9.2 mtp85 -67.89 -35.77 79.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.552 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 3.5 m-85 -67.8 -52.59 35.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.918 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.4 mm? -62.01 -55.72 26.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 t -51.57 -49.55 61.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.491 ' HB2' HG23 ' A' ' 48' ' ' VAL . 28.0 mm-40 -76.42 6.87 5.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 48.29 32.87 3.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.869 HG13 HD12 ' A' ' 52' ' ' LEU . 80.3 t -61.36 97.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 50' ' ' GLY . 6.1 p-10 -91.96 162.64 14.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 49' ' ' ASN . . . -33.97 -67.14 0.25 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.509 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -42.58 -45.07 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.857 -179.855 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.869 HD12 HG13 ' A' ' 48' ' ' VAL . 1.7 tm? -63.52 -49.76 72.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.77 ' HA ' HD12 ' A' ' 56' ' ' LEU . 18.2 tp -48.37 -37.52 16.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.5 mt -71.77 -52.72 16.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 51' ' ' ARG . 45.1 p -51.74 -18.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' ' 53' ' ' LEU . 65.4 mt -74.13 145.18 44.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 59' ' ' GLU . 72.9 p -137.23 163.13 31.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 57' ' ' THR . 17.4 tt0 -34.4 -33.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 62' ' ' SER . 4.7 mt-10 -73.26 -75.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 59' ' ' GLU . 79.4 mm-40 -35.49 -40.17 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.764 ' HB3' HD12 ' A' ' 68' ' ' ILE . 18.6 m-85 -62.66 -45.34 93.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.6 p -75.64 -9.6 58.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 49.7 mmm-85 -96.15 148.51 22.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.678 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -60.87 160.82 17.92 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.532 0.682 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.678 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.8 Cg_endo -69.77 -27.1 7.02 Favored 'Cis proline' 0 C--N 1.341 0.143 0 C-N-CA 122.717 -1.785 . . . . 0.0 112.33 0.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.498 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.5 m-85 -50.41 -42.09 53.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 66' ' ' TYR . 10.7 t 34.93 31.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.764 HD12 ' HB3' ' A' ' 61' ' ' PHE . 88.1 mt -43.65 105.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -98.81 -27.19 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 71' ' ' SER . 2.5 m-20 -76.76 92.26 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 74' ' ' ARG . 4.9 m -33.63 -54.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.643 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.3 t -36.15 -49.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.645 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 5.2 t-80 -56.32 -45.12 80.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 71' ' ' SER . 12.4 mtm180 -67.06 -47.22 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -59.43 -44.84 92.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 72' ' ' SER . 85.2 t -64.19 -59.13 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.615 HD11 ' CE1' ' A' ' 73' ' ' HIS . 68.9 mt -54.75 -59.19 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.2 mt -53.5 -68.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.3 m -38.47 -63.3 0.51 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -52.97 -47.49 68.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.606 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 6.0 mt -55.72 -31.45 62.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -74.31 -15.74 60.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -94.56 -55.11 3.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 12.4 m -51.38 -42.65 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 86' ' ' SER . 18.3 ptp180 -62.32 -46.28 89.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 85' ' ' ARG . 0.7 OUTLIER -38.51 -71.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.818 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 112.89 -102.2 1.27 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.461 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -17.81 37.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.6 m -69.49 -62.7 1.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.6 p -110.71 157.14 20.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.465 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 t -70.5 109.28 4.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.824 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 t -141.41 129.93 22.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.33 81.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -114.68 98.25 6.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.818 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.0 t -164.29 152.74 12.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.64 99.88 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -142.48 126.57 17.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.499 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 49.9 p-80 -56.3 104.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 12' ' ' LEU . . . 162.06 -80.69 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.534 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 12' ' ' LEU . 0.8 OUTLIER -35.72 -32.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.926 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.512 HD12 ' CH2' ' A' ' 20' ' ' TRP . 4.1 mm? -33.49 -61.6 0.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 10' ' ' GLY . 15.8 m -63.97 -40.05 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -60.62 -69.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -63.5 136.53 57.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.591 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . -56.73 134.44 54.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.05 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.873 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 79.7 t -62.99 -29.82 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.498 ' OD1' ' CD ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -69.39 -1.11 7.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.591 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 4.3 mptp? -113.44 -2.05 14.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.873 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 46.7 m0 -64.56 162.35 15.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.939 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 23' ' ' GLU . 20.7 p -117.46 157.01 27.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.418 HG22 HD13 ' A' ' 44' ' ' LEU . 1.8 m -37.74 -27.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.132 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 21' ' ' THR . 10.4 tt0 -78.64 -56.16 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -60.43 -43.26 96.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.846 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 50' ' ' GLY . 55.6 t -48.18 -50.0 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.704 HG21 ' CD2' ' A' ' 44' ' ' LEU . 90.3 t -71.25 -34.94 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.15 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.6 mt -59.9 -51.31 70.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.59 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 21.6 t90 -56.12 -40.26 73.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.605 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 9.2 tp -72.99 -26.8 61.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -76.11 5.88 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -108.66 -25.61 10.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.664 HD13 HG12 ' A' ' 76' ' ' VAL . 4.1 mt -67.85 -28.73 67.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.61 164.05 30.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -22.41 31.74 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.647 2.231 . . . . 0.0 112.34 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.665 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.8 p-90 -69.53 -15.55 63.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.605 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -54.76 -37.2 65.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 t -64.93 -12.43 49.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.9 mt -85.05 -15.53 43.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -116.37 -29.82 6.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -39.61 -36.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.41 -45.05 62.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.427 ' HB2' ' NH1' ' A' ' 42' ' ' ARG . 14.9 mtm105 -68.62 -30.61 69.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -68.5 -50.64 50.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.704 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.1 mm? -65.12 -54.35 31.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -52.22 -43.63 64.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -86.17 4.99 36.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 45.32 39.16 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.552 ' HA ' HD23 ' A' ' 52' ' ' LEU . 35.0 t -63.4 99.2 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -88.71 162.02 16.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.424 ' N ' ' CG2' ' A' ' 25' ' ' VAL . . . -40.65 -61.48 1.86 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.46 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -43.45 -43.3 5.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 0.0 110.836 -179.867 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.552 HD23 ' HA ' ' A' ' 48' ' ' VAL . 13.2 tp -70.76 -39.77 73.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.558 ' CD2' HD21 ' A' ' 81' ' ' LEU . 51.5 tp -55.9 -55.2 35.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 68.6 mt -49.35 -55.56 12.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.958 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 51' ' ' ARG . 43.7 p -51.07 -45.9 61.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 53' ' ' LEU . 85.6 mt -52.64 131.3 34.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 70.7 p -116.71 171.92 7.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -40.28 -42.69 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -65.08 -71.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 59' ' ' GLU . 10.2 mm-40 -34.95 -44.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.517 ' HB3' HD12 ' A' ' 68' ' ' ILE . 30.7 m-85 -57.86 -45.01 86.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 59' ' ' GLU . 35.9 t -76.63 -7.87 56.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -96.8 145.94 25.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.613 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -58.27 158.96 12.52 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.529 0.681 . . . . 0.0 111.127 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.613 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.8 Cg_endo -69.75 -29.08 5.9 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.737 -1.776 . . . . 0.0 112.324 0.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.479 ' O ' ' C ' ' A' ' 67' ' ' THR . 1.2 m-85 -45.7 -44.54 13.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 67' ' ' THR . 13.6 t 30.69 41.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.624 HD13 ' ND1' ' A' ' 73' ' ' HIS . 32.5 mt -50.64 89.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 67' ' ' THR . 20.0 mt-10 -79.55 44.32 0.61 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.95 114.06 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 72' ' ' SER . 10.7 t -60.45 -57.43 12.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.673 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.4 t -35.82 -42.01 0.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.761 ' CE1' HD11 ' A' ' 77' ' ' ILE . 29.9 t-80 -64.18 -49.63 71.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 62' ' ' SER . 46.7 mtm180 -62.98 -43.25 99.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -55.92 -48.04 76.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 72' ' ' SER . 53.3 t -64.61 -58.43 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.761 HD11 ' CE1' ' A' ' 73' ' ' HIS . 56.2 mt -50.01 -56.72 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 79' ' ' THR . 6.8 mp -59.55 -70.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 78' ' ' LEU . 73.4 m -34.19 -51.33 0.43 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.456 ' OE2' HD22 ' A' ' 32' ' ' LEU . 6.3 mm-40 -64.47 -45.59 86.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.59 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 4.6 mt -61.27 -30.56 70.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.45 -28.76 68.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -84.44 -63.15 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.475 HG22 ' HA ' ' A' ' 81' ' ' LEU . 27.8 m -42.47 -40.06 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.503 ' CG ' ' N ' ' A' ' 86' ' ' SER . 8.2 ptm180 -74.23 -48.54 28.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.503 ' N ' ' CG ' ' A' ' 85' ' ' ARG . 3.7 t -53.35 140.21 27.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 165.23 144.94 4.23 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.459 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 170.27 16.97 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.653 2.236 . . . . 0.0 112.349 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 34.7 m -78.08 138.68 38.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.0 t -94.41 -45.55 7.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.787 HD22 ' C ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -70.22 -6.85 37.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.879 0.371 . . . . 0.0 110.926 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.549 ' N ' HD13 ' A' ' 11' ' ' LEU . 3.9 mm? -46.24 -59.76 2.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.551 HG23 ' N ' ' A' ' 14' ' ' HIS . 24.1 m -63.93 -46.57 93.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.551 ' N ' HG23 ' A' ' 13' ' ' VAL . 78.3 m-70 -50.34 -31.58 14.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -102.48 124.3 47.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.93 136.88 6.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.868 HG21 HG23 ' A' ' 84' ' ' VAL . 66.3 t -67.76 -23.81 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.087 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.555 ' CG ' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -77.41 0.41 22.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -115.56 -3.1 12.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.648 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 41.7 m0 -64.44 168.58 5.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.54 ' O ' HG23 ' A' ' 25' ' ' VAL . 25.3 p -121.76 162.06 21.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.414 HG22 HD13 ' A' ' 44' ' ' LEU . 2.0 m -42.9 -23.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 21' ' ' THR . 6.6 tt0 -81.67 -61.46 1.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -55.18 -40.02 70.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.714 HG13 HD22 ' A' ' 53' ' ' LEU . 91.9 t -52.41 -46.05 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.686 HG21 ' CD2' ' A' ' 44' ' ' LEU . 88.1 t -75.57 -33.82 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.98 -49.2 75.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.587 ' CZ3' HD21 ' A' ' 53' ' ' LEU . 12.2 t90 -61.72 -39.35 91.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.48 HD22 ' CE2' ' A' ' 43' ' ' PHE . 6.7 tp -75.41 -24.62 57.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -78.79 5.92 10.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -108.24 -26.73 10.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.517 HD13 HG12 ' A' ' 76' ' ' VAL . 5.7 mt -62.95 -26.74 68.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.64 163.57 28.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -20.05 35.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.655 2.237 . . . . 0.0 112.341 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.609 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 11.5 p-90 -72.91 -13.54 61.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.96 -27.51 61.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 t -68.41 -14.8 63.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.3 mt -83.7 -13.18 54.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.59 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 65.8 m-85 -118.15 -30.24 5.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.441 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 10.7 ptm180 -40.62 -44.95 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.402 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -51.76 -40.36 60.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.5 mtt85 -72.12 -24.49 61.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.48 ' CE2' HD22 ' A' ' 29' ' ' LEU . 4.9 m-85 -76.73 -41.73 43.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.686 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.3 mm? -72.62 -54.62 8.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -52.35 -44.51 65.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.465 ' HB2' HG23 ' A' ' 48' ' ' VAL . 55.5 mm-40 -85.37 12.07 9.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 40.49 34.35 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.566 HG13 HD23 ' A' ' 52' ' ' LEU . 41.1 t -60.25 103.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -89.71 175.04 7.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -55.53 -57.95 16.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.691 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -46.11 -36.82 6.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.893 0.378 . . . . 0.0 110.884 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.566 HD23 HG13 ' A' ' 48' ' ' VAL . 29.0 tp -81.18 -33.12 33.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.714 HD22 HG13 ' A' ' 25' ' ' VAL . 53.8 tp -60.59 -37.06 80.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.555 ' CD1' ' CG ' ' A' ' 18' ' ' ASP . 96.9 mt -72.03 -41.15 67.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 51' ' ' ARG . 25.7 p -60.04 -40.15 88.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 53' ' ' LEU . 41.2 mt -55.79 126.79 27.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.6 p -110.66 171.79 7.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -40.9 -44.53 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 62' ' ' SER . 4.0 mt-10 -63.03 -67.81 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 59' ' ' GLU . 5.4 mm-40 -36.52 -46.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.9 ' HB3' HD12 ' A' ' 68' ' ' ILE . 18.1 m-85 -60.98 -42.11 97.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 59' ' ' GLU . 1.4 t -75.0 -13.9 60.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.7 mmm-85 -96.55 147.92 23.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.72 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -56.97 162.13 4.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.572 0.701 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.72 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.6 Cg_endo -69.75 -28.91 6.0 Favored 'Cis proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.354 -0.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 67' ' ' THR . 2.4 m-85 -48.46 -44.18 35.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 66' ' ' TYR . 14.5 t 33.43 37.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.138 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.9 HD12 ' HB3' ' A' ' 61' ' ' PHE . 75.7 mt -45.57 93.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' THR . 36.7 mt-10 -81.24 41.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -154.7 106.08 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 74' ' ' ARG . 19.9 m -53.11 -58.48 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.62 ' O ' HG23 ' A' ' 76' ' ' VAL . 7.8 t -36.93 -42.71 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.893 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.597 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 56.5 t-80 -60.61 -44.31 96.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' SER . 17.8 mtm105 -67.64 -39.78 84.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -36.09 79.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 72' ' ' SER . 93.7 t -69.31 -44.52 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 62.3 mt -69.03 -63.58 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.7 mt -46.8 -52.81 13.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.6 m -56.11 -67.86 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.481 ' HG3' HD13 ' A' ' 32' ' ' LEU . 28.7 mm-40 -45.94 -39.01 8.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.496 HD21 ' HA ' ' A' ' 54' ' ' LEU . 7.7 tp -61.8 -44.67 96.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -58.38 -17.7 22.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -88.16 -57.14 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.868 HG23 HG21 ' A' ' 17' ' ' VAL . 25.6 m -60.95 -31.77 50.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.894 HD13 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -52.88 -19.32 2.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.937 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.894 ' N ' HD13 ' A' ' 11' ' ' LEU . 12.2 mt -41.07 -67.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.598 HG23 ' N ' ' A' ' 14' ' ' HIS . 32.6 m -49.39 -49.64 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.598 ' N ' HG23 ' A' ' 13' ' ' VAL . 43.3 t-80 -49.27 -74.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -57.02 119.87 7.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.53 140.26 3.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.752 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 88.5 t -66.44 -29.39 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.434 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 1.0 OUTLIER -65.95 -4.54 7.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 2.2 mptm? -113.12 -2.27 14.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.752 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 42.4 m0 -66.92 163.55 19.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.467 ' O ' HG23 ' A' ' 25' ' ' VAL . 21.8 p -114.55 159.04 20.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.404 HG22 HD13 ' A' ' 44' ' ' LEU . 3.7 m -42.96 -27.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.136 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -78.58 -54.52 6.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -60.0 -41.2 91.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.83 HG13 HD22 ' A' ' 53' ' ' LEU . 96.1 t -51.73 -44.78 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.756 HG21 ' CD2' ' A' ' 44' ' ' LEU . 97.7 t -74.29 -32.95 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.62 -48.66 76.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.967 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.686 ' CZ3' HD21 ' A' ' 53' ' ' LEU . 11.0 t90 -61.76 -40.09 93.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.545 HD22 ' CE2' ' A' ' 43' ' ' PHE . 6.9 tp -73.55 -28.9 62.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.523 ' HA ' ' HB3' ' A' ' 36' ' ' ALA . 33.7 mt-10 -75.4 5.58 5.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.453 ' NE2' ' HA ' ' A' ' 28' ' ' TRP . 38.0 mt-30 -107.28 -27.32 10.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.49 HD13 HG12 ' A' ' 76' ' ' VAL . 4.1 mt -63.43 -23.75 67.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.55 164.74 29.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -21.66 33.23 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.494 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 13.3 p-90 -71.71 -14.22 61.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 30' ' ' GLU . . . -58.97 -20.45 52.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.5 t -77.15 -7.99 56.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.3 mt -89.79 -15.7 31.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.422 ' O ' ' N ' ' A' ' 42' ' ' ARG . 63.3 m-85 -113.84 -24.97 8.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.42 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 14.8 ptt85 -38.51 -46.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.42 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -53.04 -43.56 66.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 39' ' ' TYR . 36.8 mtt-85 -66.37 -26.41 67.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.545 ' CE2' HD22 ' A' ' 29' ' ' LEU . 3.5 m-85 -79.21 -47.95 15.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.756 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.3 mm? -66.3 -55.76 14.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 t -50.53 -47.22 57.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -82.27 17.17 1.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 38.85 34.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.093 HG13 HD12 ' A' ' 52' ' ' LEU . 47.3 t -55.38 104.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 50' ' ' GLY . 4.2 p-10 -97.04 162.18 13.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 49' ' ' ASN . . . -34.23 -67.7 0.24 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.635 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -41.42 -48.73 3.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 110.899 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 1.093 HD12 HG13 ' A' ' 48' ' ' VAL . 3.0 tm? -59.24 -48.84 80.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.83 HD22 HG13 ' A' ' 25' ' ' VAL . 19.6 tp -49.52 -44.08 46.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.411 ' HA ' HD21 ' A' ' 81' ' ' LEU . 33.2 mt -68.64 -50.12 53.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 51' ' ' ARG . 66.7 p -51.18 -27.39 8.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.589 HD12 ' HA ' ' A' ' 53' ' ' LEU . 60.4 mt -67.99 129.69 40.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.2 p -118.33 172.25 7.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -51.52 -16.95 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.1 -59.22 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -47.0 -37.29 8.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.688 ' HB3' HD12 ' A' ' 68' ' ' ILE . 12.3 m-85 -64.26 -31.13 72.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.2 t -77.97 6.1 8.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -115.62 145.88 42.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.777 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -63.74 163.93 19.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.617 0.722 . . . . 0.0 111.081 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.777 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.3 Cg_endo -69.81 -16.62 12.28 Favored 'Cis proline' 0 C--O 1.232 0.179 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.316 0.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.506 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.8 m-85 -56.28 -46.78 79.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.762 ' O ' HG23 ' A' ' 67' ' ' THR . 1.9 t 30.59 38.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.688 HD12 ' HB3' ' A' ' 61' ' ' PHE . 73.1 mt -50.91 97.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -82.79 -21.57 34.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -85.97 90.88 8.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.5 m -38.85 -49.32 1.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.489 ' O ' HG23 ' A' ' 76' ' ' VAL . 75.5 m -39.71 -47.5 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.48 ' CE1' HD11 ' A' ' 77' ' ' ILE . 26.7 t-80 -55.4 -47.38 75.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.786 ' O ' HD12 ' A' ' 78' ' ' LEU . 32.8 mtm180 -62.25 -33.23 74.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -71.03 -40.32 71.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.494 HG11 ' HZ2' ' A' ' 35' ' ' TRP . 64.0 t -65.58 -60.63 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.48 HD11 ' CE1' ' A' ' 73' ' ' HIS . 72.2 mt -52.7 -58.83 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 74' ' ' ARG . 12.4 mt -51.75 -66.62 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 85.9 m -43.7 -58.04 2.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.481 ' CD ' HD22 ' A' ' 32' ' ' LEU . 9.3 mm-40 -54.39 -41.46 69.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 54' ' ' LEU . 5.9 tp -59.78 -37.77 80.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.472 ' C ' ' CD ' ' A' ' 82' ' ' GLU . 5.3 tm-20 -58.38 -33.42 69.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -74.39 -66.3 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.46 HG23 ' N ' ' A' ' 85' ' ' ARG . 15.4 m -44.31 -46.87 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.46 ' N ' HG23 ' A' ' 84' ' ' VAL . 5.0 ptm180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.823 HD22 ' C ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -67.03 -9.52 40.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.909 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.47 ' N ' HD13 ' A' ' 11' ' ' LEU . 95.9 mt -51.9 -56.77 12.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.432 HG23 ' N ' ' A' ' 14' ' ' HIS . 27.3 m -54.93 -41.75 59.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.432 ' N ' HG23 ' A' ' 13' ' ' VAL . 4.4 t-80 -61.4 -61.8 2.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -69.51 120.84 15.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.416 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . -42.11 137.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.804 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 74.3 t -69.45 -27.05 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.443 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -71.52 0.64 7.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 4.2 mptp? -114.38 -3.68 13.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.804 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 40.7 m0 -65.42 166.44 10.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.6 p -119.59 164.3 16.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -44.0 -26.09 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -80.01 -60.63 2.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.15 -42.76 69.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.68 HG13 HD22 ' A' ' 53' ' ' LEU . 58.6 t -49.37 -49.75 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.467 HG21 ' CD2' ' A' ' 44' ' ' LEU . 69.2 t -68.66 -36.09 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.6 mt -58.93 -52.9 63.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.595 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 32.5 t90 -56.09 -41.84 75.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.584 HD22 ' CE2' ' A' ' 43' ' ' PHE . 10.2 tp -74.59 -26.3 59.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -79.57 11.79 2.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -116.97 -24.56 7.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.566 HD13 HG12 ' A' ' 76' ' ' VAL . 7.5 mt -66.52 -26.03 66.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.8 165.77 32.24 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -24.14 30.12 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.62 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 10.2 p-90 -68.34 -15.15 63.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.433 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -56.83 -37.74 71.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 t -62.42 -13.16 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.3 mt -84.55 -12.49 54.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 40' ' ' ARG . 64.3 m-85 -118.67 -33.06 4.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.507 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 7.1 ptm180 -35.71 -51.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.507 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 51.4 m-20 -46.59 -44.24 17.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' TYR . 15.8 mtt85 -67.02 -33.9 76.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.584 ' CE2' HD22 ' A' ' 29' ' ' LEU . 3.8 m-85 -64.59 -48.08 76.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.503 HD22 ' O ' ' A' ' 40' ' ' ARG . 2.9 mm? -63.18 -54.88 30.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -53.91 -41.12 67.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.447 ' HG3' ' CE1' ' A' ' 66' ' ' TYR . 29.7 mm-40 -85.8 10.55 13.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 42.67 36.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.519 ' HA ' HD23 ' A' ' 52' ' ' LEU . 58.3 t -62.12 93.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -89.15 164.24 15.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.1 -61.08 1.78 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.453 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.417 ' O ' HG22 ' A' ' 55' ' ' THR . 0.0 OUTLIER -42.52 -48.99 5.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.519 HD23 ' HA ' ' A' ' 48' ' ' VAL . 16.6 tp -67.08 -37.65 84.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.68 HD22 HG13 ' A' ' 25' ' ' VAL . 14.9 tp -60.98 -16.33 41.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 52.0 mt -90.42 -51.04 5.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.517 HG23 HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -63.95 -25.3 68.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 53' ' ' LEU . 33.5 mt -60.46 134.65 57.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 58' ' ' GLU . 39.4 p -122.95 166.28 15.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 57' ' ' THR . 7.2 tt0 -36.19 -42.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.4 mp0 -57.55 -71.25 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 59' ' ' GLU . 6.0 mm-40 -37.79 -45.08 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.874 ' HB3' HD12 ' A' ' 68' ' ' ILE . 16.3 m-85 -61.99 -41.82 98.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.7 p -80.02 -7.75 59.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -98.23 148.01 24.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.726 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -60.15 162.35 10.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.56 0.695 . . . . 0.0 111.057 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.726 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 54.0 Cg_endo -69.7 -19.4 11.18 Favored 'Cis proline' 0 C--O 1.231 0.138 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.382 -0.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.454 ' O ' ' C ' ' A' ' 67' ' ' THR . 1.3 m-85 -56.72 -44.08 81.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 66' ' ' TYR . 14.7 t 33.24 38.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.874 HD12 ' HB3' ' A' ' 61' ' ' PHE . 95.9 mt -45.18 98.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.087 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -85.03 -12.09 53.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -98.32 86.88 3.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 72' ' ' SER . 62.0 m -38.45 -52.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 71' ' ' SER . 1.3 t -36.65 -44.49 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.897 ' NE2' HD11 ' A' ' 77' ' ' ILE . 12.4 t-160 -58.7 -52.95 63.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.406 ' HG3' HG21 ' A' ' 68' ' ' ILE . 9.3 mtm105 -56.32 -39.87 73.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -40.67 83.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.566 HG12 HD13 ' A' ' 32' ' ' LEU . 80.5 t -69.05 -48.6 68.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.897 HD11 ' NE2' ' A' ' 73' ' ' HIS . 93.6 mt -60.7 -66.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.6 mt -48.48 -61.57 1.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.8 m -43.65 -65.7 0.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -48.54 -44.25 36.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.595 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 3.3 mt -61.18 -31.73 71.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.82 -21.77 66.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -91.15 -59.34 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.526 HG22 ' HA ' ' A' ' 81' ' ' LEU . 18.8 m -47.62 -39.03 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.772 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -71.45 -1.22 12.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.888 0.375 . . . . 0.0 110.969 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.549 HD22 ' CH2' ' A' ' 20' ' ' TRP . 17.3 mt -61.77 -55.95 24.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.9 m -62.87 -28.01 44.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -69.91 -59.44 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -74.71 122.19 22.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.31 137.38 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.63 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 55.8 t -65.28 -33.38 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.497 ' OD1' ' CG ' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -69.29 -1.02 7.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -110.76 -1.49 16.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.63 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 41.0 m0 -68.66 174.54 4.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 25' ' ' VAL . 20.7 p -125.55 161.15 27.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.474 ' CG2' ' HA ' ' A' ' 47' ' ' ARG . 1.6 m -40.97 -26.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' THR . 10.9 tt0 -78.82 -63.51 1.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -50.02 -47.23 53.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.478 HG13 HD22 ' A' ' 53' ' ' LEU . 85.6 t -44.67 -48.43 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.662 HG21 ' CD2' ' A' ' 44' ' ' LEU . 97.5 t -71.92 -35.11 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' A' ' 27' ' ' LEU . 11.6 mt -60.26 -51.94 67.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.601 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 25.2 t90 -56.51 -41.31 76.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.537 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 10.0 tp -73.2 -26.68 61.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -76.58 6.71 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.431 HE22 ' CD1' ' A' ' 12' ' ' LEU . 38.5 mt-30 -109.79 -29.79 8.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.645 HD13 HG12 ' A' ' 76' ' ' VAL . 5.7 mt -61.92 -27.36 68.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.01 165.13 31.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -25.28 28.74 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.27 . . . . 0.0 112.347 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.562 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.9 p-90 -67.31 -16.85 64.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.537 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -56.18 -31.04 63.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.8 t -68.26 -10.41 54.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.9 mt -86.71 -14.87 41.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.402 ' O ' ' N ' ' A' ' 42' ' ' ARG . 36.5 m-85 -116.95 -24.11 7.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 11.6 ptt85 -39.27 -45.73 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.425 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 7.6 t0 -51.23 -42.03 60.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 39' ' ' TYR . 71.1 mtt-85 -65.94 -29.94 70.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.472 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 7.6 m-85 -72.85 -48.21 39.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.662 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.1 mm? -66.49 -54.52 23.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -51.55 -45.87 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -87.28 8.94 21.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.474 ' HA ' ' CG2' ' A' ' 22' ' ' THR . 0.0 OUTLIER 39.43 45.73 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.582 ' HA ' HD23 ' A' ' 52' ' ' LEU . 43.5 t -67.14 95.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -78.49 157.18 28.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.421 ' N ' ' CG2' ' A' ' 25' ' ' VAL . . . -38.59 -58.55 1.74 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.471 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.497 ' CG ' ' OD1' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -45.44 -53.21 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.332 . . . . 0.0 110.84 -179.812 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.582 HD23 ' HA ' ' A' ' 48' ' ' VAL . 23.6 tp -58.07 -38.0 75.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.503 ' HA ' HD12 ' A' ' 56' ' ' LEU . 42.3 tp -59.45 -38.08 79.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.467 HD12 ' HB2' ' A' ' 18' ' ' ASP . 45.9 mt -65.88 -53.28 41.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.1 p -54.44 -41.35 69.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 53' ' ' LEU . 72.1 mt -51.61 140.19 19.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 58' ' ' GLU . 37.3 p -127.38 166.06 18.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' THR . 17.6 tt0 -35.8 -37.02 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -66.41 -73.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 59' ' ' GLU . 48.4 mm-40 -36.44 -41.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.609 ' CD2' HD21 ' A' ' 78' ' ' LEU . 35.0 m-85 -61.59 -46.28 90.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.9 p -77.6 -6.45 53.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -99.41 148.72 23.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.673 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -59.23 160.85 11.09 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.603 0.716 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.673 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.2 Cg_endo -69.78 -23.76 8.92 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.343 -0.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.508 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.4 m-85 -52.4 -42.91 64.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.773 ' O ' HG23 ' A' ' 67' ' ' THR . 1.7 t 30.08 38.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.179 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 66' ' ' TYR . 37.4 mt -48.03 94.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -83.14 40.26 0.69 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -147.63 106.25 3.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 74' ' ' ARG . 32.1 m -54.84 -63.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.603 ' O ' HG23 ' A' ' 76' ' ' VAL . 34.9 m -34.6 -41.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.704 ' CE1' HD11 ' A' ' 77' ' ' ILE . 53.9 t-80 -61.23 -50.6 72.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' SER . 9.7 mtm105 -61.67 -42.55 99.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.423 ' C ' ' HD3' ' A' ' 75' ' ' ARG . 4.2 tmt_? -55.71 -41.12 73.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.645 HG12 HD13 ' A' ' 32' ' ' LEU . 85.4 t -66.24 -49.2 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.704 HD11 ' CE1' ' A' ' 73' ' ' HIS . 91.8 mt -62.25 -62.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.609 HD21 ' CD2' ' A' ' 61' ' ' PHE . 4.4 mm? -50.8 -61.31 2.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.9 m -45.2 -67.5 0.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.171 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -46.55 -51.06 16.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.601 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 4.8 mt -53.52 -40.69 65.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -61.53 -25.0 67.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -84.01 -62.02 1.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 85' ' ' ARG . 17.0 m -45.3 -46.09 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.469 ' N ' HG23 ' A' ' 84' ' ' VAL . 10.1 ptm180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.794 HD22 ' C ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -67.35 -12.48 60.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.936 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.528 ' N ' HD22 ' A' ' 11' ' ' LEU . 18.6 mt -49.77 -59.85 3.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.6 m -55.81 -32.1 31.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -65.86 -48.06 72.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -87.93 142.93 27.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.588 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -56.64 147.09 23.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.689 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 83.2 t -76.66 -32.25 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.481 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -69.56 -1.35 8.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -114.65 -3.05 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.689 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 45.3 m0 -63.85 170.76 3.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.1 p -120.72 159.34 25.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.5 m -41.11 -28.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -77.72 -59.79 2.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -53.75 -42.48 68.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 1.028 HG13 HD12 ' A' ' 53' ' ' LEU . 43.2 t -49.03 -48.79 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.672 HG21 ' CD2' ' A' ' 44' ' ' LEU . 94.3 t -70.01 -36.37 68.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 27' ' ' LEU . 11.4 mt -58.34 -51.64 68.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.592 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 31.9 t90 -57.26 -43.23 82.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.498 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 11.0 tp -73.17 -28.03 61.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.464 ' HG3' HG12 ' A' ' 26' ' ' VAL . 15.4 mt-10 -77.27 8.2 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -112.42 -27.52 8.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.497 HD13 HG12 ' A' ' 76' ' ' VAL . 6.9 mt -64.08 -29.39 70.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.83 165.4 32.74 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -22.8 31.65 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.648 2.232 . . . . 0.0 112.372 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.565 ' CD2' ' CD2' ' A' ' 73' ' ' HIS . 17.5 p-90 -66.78 -17.09 64.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.498 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -57.09 -33.37 67.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.9 t -65.35 -8.92 20.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.5 mt -86.75 -16.24 36.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 40' ' ' ARG . 56.4 m-85 -117.8 -30.41 5.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 10.9 ptm180 -34.62 -50.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.479 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 15.3 m-20 -46.94 -47.08 21.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 39' ' ' TYR . 18.8 mtt-85 -64.19 -38.41 90.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.445 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 57.0 m-85 -62.01 -44.31 96.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.672 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.0 mm? -70.63 -56.05 7.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -51.88 -47.96 64.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.47 ' HB2' HG23 ' A' ' 48' ' ' VAL . 70.2 mm-40 -79.49 6.51 10.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.5 mmm-85 44.51 36.12 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.644 ' HA ' HD23 ' A' ' 52' ' ' LEU . 88.1 t -66.37 98.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.526 ' C ' HG21 ' A' ' 25' ' ' VAL . 24.1 p30 -88.14 172.4 9.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.467 ' N ' ' CG2' ' A' ' 25' ' ' VAL . . . -49.4 -60.35 6.36 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.558 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.33 -48.55 5.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.644 HD23 ' HA ' ' A' ' 48' ' ' VAL . 54.5 tp -71.29 -31.74 67.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.028 HD12 HG13 ' A' ' 25' ' ' VAL . 2.1 tt -65.08 -35.74 82.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 30.5 mt -68.68 -52.85 26.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 50.9 p -55.68 -46.1 77.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 53' ' ' LEU . 34.8 mt -42.24 145.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' GLU . 74.3 p -130.37 162.21 29.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' THR . 23.4 tt0 -34.45 -58.17 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.1 tt0 -43.38 -64.49 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -45.87 -42.51 12.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.623 ' HB3' HD12 ' A' ' 68' ' ' ILE . 10.3 m-85 -65.56 -28.08 68.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 59' ' ' GLU . 30.7 t -84.92 -6.11 59.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -106.45 148.2 28.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.788 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -59.67 164.81 5.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.597 0.713 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.788 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 54.2 Cg_endo -69.7 -16.8 12.05 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.391 -0.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 68' ' ' ILE . 0.6 OUTLIER -61.04 -44.37 97.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.952 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.772 ' O ' HG23 ' A' ' 67' ' ' THR . 2.4 t 29.31 40.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.165 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.623 HD12 ' HB3' ' A' ' 61' ' ' PHE . 56.3 mt -42.08 93.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' THR . 20.5 mt-10 -82.98 37.33 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -150.5 105.75 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.1 t -55.24 -48.6 73.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.555 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.7 t -40.47 -52.56 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.837 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.565 ' CD2' ' CD2' ' A' ' 35' ' ' TRP . 36.1 m170 -55.68 -56.7 17.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 46.9 mtm-85 -49.73 -40.76 41.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -65.19 -41.99 94.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 72' ' ' SER . 59.3 t -67.38 -46.5 83.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.508 ' O ' HD12 ' A' ' 81' ' ' LEU . 85.1 mt -65.42 -49.12 80.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.6 mt -66.05 -52.36 49.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.9 m -54.54 -55.35 30.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.417 ' OE2' HD22 ' A' ' 32' ' ' LEU . 5.5 mm-40 -55.95 -43.52 77.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.685 HD11 ' CD2' ' A' ' 53' ' ' LEU . 1.3 mt -60.78 -35.95 77.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -62.72 -23.24 67.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.0 mtt180 -88.07 -59.76 2.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' ' 81' ' ' LEU . 13.2 m -44.56 -42.32 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.837 HD13 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -50.14 -18.03 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.837 ' N ' HD13 ' A' ' 11' ' ' LEU . 18.8 mt -43.24 -59.83 1.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.4 m -59.21 -39.03 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -60.27 -68.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.8 tttt -66.64 119.86 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.455 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -42.3 148.32 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.55 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 92.1 t -73.17 -32.29 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.42 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 3.3 p-10 -66.64 -3.57 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -112.73 0.88 15.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.55 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 43.7 m0 -69.49 164.49 23.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 23' ' ' GLU . 21.7 p -116.6 158.04 24.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.466 HG22 HD13 ' A' ' 44' ' ' LEU . 1.3 m -38.75 -26.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 21' ' ' THR . 7.0 tt0 -79.4 -62.89 1.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -54.11 -39.39 66.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 1.015 HG13 HD12 ' A' ' 53' ' ' LEU . 54.3 t -53.75 -48.48 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.848 HG21 ' CD2' ' A' ' 44' ' ' LEU . 97.3 t -72.43 -31.71 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.8 mt -63.6 -53.28 54.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 18.6 t90 -57.16 -39.67 75.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.572 HD22 ' CZ ' ' A' ' 43' ' ' PHE . 8.5 tp -75.11 -24.85 58.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -79.81 12.28 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -116.34 -28.45 6.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.501 HD13 HG12 ' A' ' 76' ' ' VAL . 4.5 mt -61.08 -27.55 68.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.93 165.42 32.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.533 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -25.63 28.52 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.698 2.266 . . . . 0.0 112.359 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.544 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 11.1 p-90 -66.17 -17.49 64.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.479 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -53.91 -38.71 65.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.7 t -62.3 -9.94 9.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 mt -88.98 -12.65 40.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -117.57 -25.6 6.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.441 ' O ' HD23 ' A' ' 44' ' ' LEU . 11.8 ptt85 -40.18 -45.64 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 4.2 m-20 -51.16 -44.44 61.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 -67.83 -29.39 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.572 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 7.2 m-85 -72.89 -49.21 31.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.848 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.7 mm? -66.11 -54.38 26.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -51.38 -48.59 62.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -81.01 10.34 5.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.7 mmt85 44.53 34.29 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.994 HG13 HD12 ' A' ' 52' ' ' LEU . 59.0 t -55.87 101.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' GLY . 7.2 p30 -92.98 159.03 15.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.512 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -36.48 -63.82 0.66 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.566 ' O ' HG23 ' A' ' 55' ' ' THR . 3.7 tmt_? -44.2 -45.83 8.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 0.0 110.854 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.994 HD12 HG13 ' A' ' 48' ' ' VAL . 3.2 tm? -64.79 -49.17 71.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.015 HD12 HG13 ' A' ' 25' ' ' VAL . 2.1 tt -51.89 -38.72 57.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.42 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 17.3 mt -67.68 -54.46 19.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 51' ' ' ARG . 45.6 p -50.13 -30.32 10.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 53' ' ' LEU . 75.3 mt -63.11 132.89 53.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.1 p -116.71 168.28 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.471 ' HB2' HD21 ' A' ' 78' ' ' LEU . 26.6 tt0 -48.19 -19.62 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.9 -60.82 1.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -51.83 -28.65 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.95 ' HB3' HD12 ' A' ' 68' ' ' ILE . 27.1 m-85 -69.39 -27.19 65.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.9 t -88.0 2.7 51.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -101.4 147.15 26.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.546 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -61.19 154.77 60.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.557 0.694 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.9 Cg_endo -69.77 -31.09 4.77 Favored 'Cis proline' 0 C--O 1.231 0.166 0 C-N-CA 122.644 -1.815 . . . . 0.0 112.341 0.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.8 m-85 -39.62 -47.25 1.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 65' ' ' PRO . 12.7 t 33.31 34.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.95 HD12 ' HB3' ' A' ' 61' ' ' PHE . 78.2 mt -50.26 87.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 67' ' ' THR . 10.3 mt-10 -78.77 -24.98 44.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -87.19 92.46 9.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 72' ' ' SER . 23.2 t -38.5 -44.92 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.6 ' O ' HG23 ' A' ' 76' ' ' VAL . 22.9 t -34.93 -48.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.891 ' NE2' HD11 ' A' ' 77' ' ' ILE . 9.5 t-160 -55.64 -57.55 11.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -51.92 -48.31 64.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -53.42 -45.44 69.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 72' ' ' SER . 45.1 t -68.79 -59.63 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.891 HD11 ' NE2' ' A' ' 73' ' ' HIS . 60.7 mt -49.01 -64.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.471 HD21 ' HB2' ' A' ' 58' ' ' GLU . 11.1 mp -49.45 -70.94 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' LEU . 94.6 m -36.13 -62.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.439 ' O ' HG22 ' A' ' 84' ' ' VAL . 23.9 mm-40 -54.97 -38.42 67.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.48 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 7.5 tp -64.17 -41.7 97.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -56.87 -30.87 64.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -78.61 -64.93 1.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.48 ' CG2' ' HA ' ' A' ' 81' ' ' LEU . 4.1 m -43.29 -44.91 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.828 HD22 ' C ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -62.19 -10.8 11.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.899 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.716 HD12 ' CH2' ' A' ' 20' ' ' TRP . 4.3 mm? -57.68 -56.56 20.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 84' ' ' VAL . 5.3 m -68.49 -16.44 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -85.88 -27.88 24.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -107.61 123.63 48.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.59 135.78 6.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.655 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 87.7 t -63.61 -33.39 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.436 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -64.76 -5.39 5.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.436 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 3.8 mptp? -113.34 1.29 15.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.716 ' CH2' HD12 ' A' ' 12' ' ' LEU . 44.6 m0 -67.76 160.94 27.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.6 p -108.97 156.94 19.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.4 m -40.17 -29.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.173 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -77.78 -59.13 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -51.95 -41.85 62.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 1.037 HG13 HD12 ' A' ' 53' ' ' LEU . 35.8 t -51.75 -48.49 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.489 HG21 ' CD1' ' A' ' 44' ' ' LEU . 61.3 t -70.91 -37.27 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.0 mt -59.37 -50.56 73.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.402 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . 29.9 t90 -59.33 -41.92 90.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.691 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 12.4 tp -73.55 -28.49 61.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -77.83 6.73 6.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' A' ' 28' ' ' TRP . 42.7 mt-30 -109.89 -25.81 10.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mt -66.2 -28.52 68.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.2 165.5 32.06 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -23.32 30.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.711 2.274 . . . . 0.0 112.324 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.42 ' CD2' ' CD2' ' A' ' 73' ' ' HIS . 20.7 p-90 -67.3 -17.0 64.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.691 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -59.06 -26.99 65.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.428 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 8.3 t -70.42 -10.25 58.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.1 mt -85.41 -11.47 54.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 40' ' ' ARG . 60.5 m-85 -124.17 -31.58 3.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.488 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 6.4 ptm180 -36.3 -51.62 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.488 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 10.7 m-20 -46.26 -44.44 16.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 39' ' ' TYR . 15.1 mtp85 -60.94 -37.91 84.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.427 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 58.4 m-85 -62.13 -57.94 9.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.489 ' CD1' HG21 ' A' ' 26' ' ' VAL . 1.1 mm? -55.24 -59.04 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 t -49.5 -53.47 23.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -78.24 4.24 13.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.8 mmm-85 44.86 43.32 6.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.596 ' HA ' HD23 ' A' ' 52' ' ' LEU . 89.3 t -74.03 92.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.534 ' C ' HG21 ' A' ' 25' ' ' VAL . 17.9 p-10 -77.6 174.94 10.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.479 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -52.42 -57.55 13.36 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -43.2 -37.62 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 0.0 110.869 -179.826 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.596 HD23 ' HA ' ' A' ' 48' ' ' VAL . 53.2 tp -81.73 -36.73 28.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.037 HD12 HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -60.47 -32.65 71.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.3 mt -72.39 -50.28 27.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 51' ' ' ARG . 29.5 p -54.47 -37.93 65.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 53' ' ' LEU . 47.3 mt -56.12 132.87 51.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 58' ' ' GLU . 65.2 p -112.82 161.98 16.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.195 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 57' ' ' THR . 18.1 tt0 -34.66 -44.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 62' ' ' SER . 0.4 OUTLIER -60.48 -71.04 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' GLU . 24.7 mm-40 -37.54 -40.46 0.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.738 ' HB3' HD12 ' A' ' 68' ' ' ILE . 50.9 m-85 -61.59 -42.42 98.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 59' ' ' GLU . 11.8 t -85.26 0.93 50.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -108.28 145.66 34.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.557 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -51.1 151.2 4.93 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.596 0.712 . . . . 0.0 111.094 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 54.2 Cg_endo -69.73 -42.81 0.69 Allowed 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.351 -0.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.498 ' O ' ' N ' ' A' ' 68' ' ' ILE . 2.4 m-85 -37.7 -43.15 0.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.779 ' O ' HG23 ' A' ' 67' ' ' THR . 1.8 t 30.66 37.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.131 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.738 HD12 ' HB3' ' A' ' 61' ' ' PHE . 68.5 mt -45.9 92.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 67' ' ' THR . 17.9 mt-10 -84.86 40.65 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.429 ' HB3' ' ND1' ' A' ' 73' ' ' HIS . 0.8 OUTLIER -148.45 107.73 3.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 72' ' ' SER . 59.7 m -56.07 -60.48 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.458 ' O ' HG23 ' A' ' 76' ' ' VAL . 22.5 m -34.29 -45.5 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.843 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.429 ' ND1' ' HB3' ' A' ' 70' ' ' ASN . 45.8 m170 -59.92 -56.08 26.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 62' ' ' SER . 54.7 mtm-85 -52.43 -44.87 65.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.4 ' O ' ' HD2' ' A' ' 75' ' ' ARG . 0.6 OUTLIER -54.96 -57.8 10.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 72' ' ' SER . 51.7 t -54.8 -56.21 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.499 HG22 ' N ' ' A' ' 78' ' ' LEU . 52.0 mt -51.23 -73.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.499 ' N ' HG22 ' A' ' 77' ' ' ILE . 3.6 mm? -41.69 -61.67 1.04 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.5 m -44.86 -62.17 1.32 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -50.19 -41.7 49.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.485 ' HA ' HG22 ' A' ' 84' ' ' VAL . 5.2 tp -61.78 -40.38 94.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -60.15 -17.48 40.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 30.0 mtt-85 -93.33 -58.25 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.485 HG22 ' HA ' ' A' ' 81' ' ' LEU . 6.8 m -53.55 -38.85 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.715 HD22 ' C ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -70.28 -3.69 18.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.914 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.483 ' N ' HD13 ' A' ' 11' ' ' LEU . 44.9 mt -72.61 -60.35 2.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 14' ' ' HIS . 20.8 m -55.34 -43.67 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.444 ' N ' HG23 ' A' ' 13' ' ' VAL . 8.2 t-80 -57.12 -44.27 83.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -88.13 141.03 28.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.65 136.54 56.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.55 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 87.1 t -62.69 -32.06 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.74 -3.86 7.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -115.21 6.71 15.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.55 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 41.0 m0 -77.17 168.59 19.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' GLU . 13.0 p -121.05 156.76 31.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 m -38.16 -28.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' THR . 14.0 tt0 -76.6 -57.68 3.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.55 -40.38 82.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.832 HG13 HD12 ' A' ' 53' ' ' LEU . 84.7 t -50.98 -48.22 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.636 HG21 ' CD2' ' A' ' 44' ' ' LEU . 97.6 t -70.93 -33.33 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.8 mt -61.53 -53.23 59.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.421 ' CH2' HG23 ' A' ' 77' ' ' ILE . 24.8 t90 -56.39 -40.34 74.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.51 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 8.8 tp -74.86 -26.65 59.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.95 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -77.77 8.99 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.43 HE22 ' CD1' ' A' ' 12' ' ' LEU . 37.5 mt-30 -111.85 -28.48 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.591 HD13 HG12 ' A' ' 76' ' ' VAL . 5.0 mt -63.08 -27.1 69.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.74 164.72 30.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -23.33 31.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.619 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.6 p-90 -68.97 -15.89 63.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.977 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.51 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -56.48 -38.93 72.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.106 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.7 t -61.18 -13.68 19.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.2 mt -85.44 -10.44 56.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -118.31 -25.85 6.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.408 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 12.0 ptt180 -39.61 -42.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.833 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -47.84 -43.71 28.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.547 HH22 HD11 ' A' ' 68' ' ' ILE . 15.8 mtm180 -63.03 -46.85 85.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' A' ' 29' ' ' LEU . 51.7 m-85 -58.71 -51.25 70.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.636 ' CD2' HG21 ' A' ' 26' ' ' VAL . 2.7 mm? -63.7 -56.76 13.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -53.06 -49.95 65.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -84.98 7.41 21.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 40.99 42.52 1.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.61 ' HA ' HD23 ' A' ' 52' ' ' LEU . 92.4 t -65.68 90.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -72.1 169.36 16.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.91 -53.96 27.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.49 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -48.31 -45.21 34.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.361 . . . . 0.0 110.847 -179.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.61 HD23 ' HA ' ' A' ' 48' ' ' VAL . 57.6 tp -70.46 -33.22 71.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.832 HD12 HG13 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -64.14 -43.68 94.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.8 mt -61.4 -54.11 47.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 51' ' ' ARG . 42.3 p -49.5 -43.26 45.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' A' ' 53' ' ' LEU . 39.9 mt -50.15 147.83 3.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' GLU . 62.0 p -131.04 164.91 24.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -42.92 -23.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -82.18 -59.32 2.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 8.0 mm-40 -53.02 -29.92 32.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.842 ' HB3' HD12 ' A' ' 68' ' ' ILE . 42.1 m-85 -69.26 -32.25 71.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.02 10.73 20.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -111.34 151.2 28.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.547 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -61.77 154.34 67.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.561 0.696 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.3 Cg_endo -69.78 -30.48 5.12 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.369 0.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 68' ' ' ILE . 2.7 m-85 -40.07 -45.69 2.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 65' ' ' PRO . 13.3 t 33.67 34.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.842 HD12 ' HB3' ' A' ' 61' ' ' PHE . 98.1 mt -46.45 92.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' THR . 13.9 mt-10 -85.77 26.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.462 ' ND2' ' HB2' ' A' ' 72' ' ' SER . 10.4 t30 -140.52 105.08 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 72' ' ' SER . 47.8 m -50.28 -53.33 29.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.655 ' O ' HG23 ' A' ' 76' ' ' VAL . 39.0 m -34.55 -51.73 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.9 ' CE1' HD11 ' A' ' 77' ' ' ILE . 23.2 t-80 -51.39 -53.27 38.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 86.4 mtm-85 -60.44 -51.21 70.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.411 ' C ' ' HD3' ' A' ' 75' ' ' ARG . 3.9 tmt_? -49.21 -40.09 32.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 72' ' ' SER . 55.0 t -71.07 -68.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.9 HD11 ' CE1' ' A' ' 73' ' ' HIS . 81.4 mt -43.57 -59.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.665 HD11 ' CD2' ' A' ' 61' ' ' PHE . 9.1 mp -52.79 -69.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.0 m -38.37 -52.85 1.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -63.99 -36.62 84.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 78' ' ' LEU . 8.3 tp -61.72 -45.89 91.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -53.65 -36.03 61.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.0 mtp85 -71.45 -65.15 0.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.81 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 85' ' ' ARG . 12.3 m -43.94 -46.38 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.436 ' N ' HG23 ' A' ' 84' ' ' VAL . 8.1 ptm180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.425 ' O ' HG22 ' A' ' 13' ' ' VAL . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.914 HD13 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -54.04 -21.15 7.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.955 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.914 ' N ' HD13 ' A' ' 11' ' ' LEU . 20.9 mt -40.81 -58.2 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.537 HG23 ' N ' ' A' ' 14' ' ' HIS . 33.1 m -57.75 -46.15 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.537 ' N ' HG23 ' A' ' 13' ' ' VAL . 17.8 m-70 -51.99 -47.22 65.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -87.05 128.37 35.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.505 ' HB1' ' OD1' ' A' ' 18' ' ' ASP . . . -49.2 135.21 17.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.794 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 60.2 t -67.58 -28.66 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.505 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 3.2 p-10 -69.77 -1.52 9.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -115.16 -2.27 12.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.794 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 43.8 m0 -63.07 165.14 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 23' ' ' GLU . 19.7 p -119.18 155.37 31.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.427 HG22 HD13 ' A' ' 44' ' ' LEU . 7.2 m -37.04 -30.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 21' ' ' THR . 18.5 tt0 -75.85 -57.76 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -58.48 -40.08 81.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.559 HG13 HD22 ' A' ' 53' ' ' LEU . 41.9 t -52.06 -50.77 33.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.77 HG21 ' CD2' ' A' ' 44' ' ' LEU . 88.6 t -69.77 -34.19 59.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.5 mt -60.48 -51.49 69.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.591 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 21.9 t90 -56.18 -40.23 73.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.498 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 8.3 tp -73.23 -24.95 60.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -78.43 8.64 4.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.431 HE22 HD11 ' A' ' 12' ' ' LEU . 41.0 mt-30 -112.35 -24.23 9.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.575 HD13 HG12 ' A' ' 76' ' ' VAL . 5.0 mt -68.11 -28.12 67.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.17 162.88 28.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -18.56 37.02 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.332 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.642 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.0 p-90 -73.74 -13.16 60.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.498 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -56.92 -39.57 74.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.0 t -62.45 -10.29 11.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.2 mt -85.81 -13.63 47.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.449 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 13.5 m-85 -120.9 -27.77 4.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.442 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 7.3 ptm180 -39.52 -33.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.31 -45.39 80.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.426 ' NH1' ' HA ' ' A' ' 66' ' ' TYR . 14.4 mtm105 -66.87 -29.72 69.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -71.35 -51.88 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.77 ' CD2' HG21 ' A' ' 26' ' ' VAL . 2.9 mm? -62.88 -55.83 22.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -50.51 -48.83 56.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 47' ' ' ARG . 78.6 mm-40 -81.84 15.55 2.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 46' ' ' GLU . 29.1 mmm-85 34.99 43.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.71 ' HA ' HD23 ' A' ' 52' ' ' LEU . 61.1 t -68.34 106.13 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.432 ' C ' HG21 ' A' ' 25' ' ' VAL . 16.3 p-10 -93.23 170.97 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -50.71 -59.88 7.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.516 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.646 ' O ' HG23 ' A' ' 55' ' ' THR . 0.7 OUTLIER -44.38 -35.3 2.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.85 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.71 HD23 ' HA ' ' A' ' 48' ' ' VAL . 46.1 tp -81.13 -33.52 33.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.559 HD22 HG13 ' A' ' 25' ' ' VAL . 45.9 tp -63.94 -46.99 82.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 33.7 mt -58.27 -48.36 80.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 51' ' ' ARG . 41.6 p -55.45 -46.35 76.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 53' ' ' LEU . 65.4 mt -49.96 147.54 3.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.41 ' C ' ' N ' ' A' ' 59' ' ' GLU . 46.3 p -130.38 169.12 15.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -45.3 -21.43 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 57' ' ' THR . 0.5 OUTLIER -87.07 -63.51 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -42.35 -41.79 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.532 ' CD2' HD21 ' A' ' 78' ' ' LEU . 56.3 m-85 -60.54 -39.3 87.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.3 p -79.94 11.36 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.42 ' C ' ' H ' ' A' ' 67' ' ' THR . 7.3 mmm180 -115.12 148.14 39.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.538 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -58.83 154.68 35.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.568 0.699 . . . . 0.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.5 Cg_endo -69.78 -29.06 5.92 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.369 0.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.5 m-85 -42.55 -49.62 5.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 65' ' ' PRO . 13.7 t 33.18 36.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.54 HD13 ' ND1' ' A' ' 73' ' ' HIS . 18.5 mt -46.67 91.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' THR . 15.4 mt-10 -80.28 43.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -155.57 105.32 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 74' ' ' ARG . 62.6 m -56.12 -57.94 10.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.469 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.4 m -37.1 -40.91 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.642 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 55.6 t-80 -63.8 -42.79 97.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 71' ' ' SER . 37.1 mtm180 -67.87 -41.2 83.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -43.98 82.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.575 HG12 HD13 ' A' ' 32' ' ' LEU . 96.3 t -65.46 -42.8 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.514 HD11 ' CE1' ' A' ' 73' ' ' HIS . 56.3 mt -68.26 -62.82 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.532 HD21 ' CD2' ' A' ' 61' ' ' PHE . 3.9 mm? -50.93 -60.44 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.7 m -46.09 -59.64 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -54.75 -40.84 69.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.591 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 4.4 mt -65.81 -32.61 74.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -64.27 -26.02 68.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 52.4 mtt-85 -86.54 -58.26 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.572 HG22 ' HA ' ' A' ' 81' ' ' LEU . 28.6 m -47.18 -40.11 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.873 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -61.25 -14.31 25.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.82 ' N ' HD13 ' A' ' 11' ' ' LEU . 4.3 mm? -39.83 -56.03 1.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.525 HG23 ' N ' ' A' ' 14' ' ' HIS . 27.6 m -63.51 -47.36 91.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.525 ' N ' HG23 ' A' ' 13' ' ' VAL . 47.2 m170 -47.49 -36.32 10.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -103.72 126.02 50.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.599 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -46.12 150.88 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.669 HG21 HG23 ' A' ' 84' ' ' VAL . 92.0 t -75.96 -32.18 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.086 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.426 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 2.1 p-10 -70.06 -1.02 8.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -114.43 -2.87 13.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 43.8 m0 -64.86 161.16 18.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' GLU . 22.3 p -110.4 158.11 18.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.151 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.4 m -41.86 -23.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.142 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.7 tt0 -82.03 -55.81 4.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -56.28 -45.69 80.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.545 HG13 HD22 ' A' ' 53' ' ' LEU . 95.1 t -46.37 -47.7 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.704 HG21 ' CD2' ' A' ' 44' ' ' LEU . 61.8 t -71.05 -34.43 55.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.9 mt -62.38 -54.47 39.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.515 ' CZ3' HD21 ' A' ' 53' ' ' LEU . 27.5 t90 -56.83 -40.6 76.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.63 HD22 ' CZ ' ' A' ' 43' ' ' PHE . 10.9 tp -74.77 -27.78 60.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -77.42 6.63 6.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -110.14 -26.56 9.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.534 HD22 ' CD ' ' A' ' 80' ' ' GLU . 5.2 mt -65.01 -28.97 69.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.0 164.59 31.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -22.49 32.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.47 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 19.9 p-90 -68.21 -16.47 63.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.459 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -58.25 -32.57 68.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.073 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -65.15 -12.52 51.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 mt -86.48 -12.75 48.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -118.34 -19.18 9.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.447 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 12.7 ptt85 -47.67 -46.3 29.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.447 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 2.4 t70 -48.27 -42.33 30.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 65' ' ' PRO . 22.6 mtt-85 -69.82 -37.98 76.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.63 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 5.0 m-85 -62.03 -44.33 96.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.704 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.1 mm? -74.1 -55.26 6.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -50.65 -51.7 46.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.442 ' HB2' HG23 ' A' ' 48' ' ' VAL . 11.1 mm-40 -80.41 12.3 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 43.9 35.34 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.826 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.513 HG13 HD23 ' A' ' 52' ' ' LEU . 92.9 t -59.74 102.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.0 p30 -93.66 163.53 13.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.43 ' N ' ' CG2' ' A' ' 25' ' ' VAL . . . -40.87 -62.85 1.61 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.473 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -37.32 -51.6 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 110.862 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.513 HD23 HG13 ' A' ' 48' ' ' VAL . 42.9 tp -66.87 -39.67 87.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.632 ' HA ' HD12 ' A' ' 56' ' ' LEU . 16.6 tp -56.16 -37.94 70.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.449 ' HA ' HD21 ' A' ' 81' ' ' LEU . 48.2 mt -71.69 -50.3 31.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 51' ' ' ARG . 48.8 p -54.66 -44.4 73.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 53' ' ' LEU . 60.4 mt -44.24 142.81 1.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.939 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' GLU . 72.7 p -129.0 167.16 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' THR . 1.2 tm-20 -35.41 -46.02 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 62' ' ' SER . 4.7 mt-10 -62.56 -72.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' GLU . 32.6 mt-10 -35.91 -46.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.762 ' HB3' HD12 ' A' ' 68' ' ' ILE . 10.6 m-85 -61.37 -42.41 98.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 59' ' ' GLU . 29.8 t -79.54 -4.8 53.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -99.08 148.28 24.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.549 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -56.72 153.69 20.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.59 0.709 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.9 Cg_endo -69.74 -40.35 1.12 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.376 -0.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.501 ' O ' ' N ' ' A' ' 68' ' ' ILE . 0.6 OUTLIER -37.09 -45.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 66' ' ' TYR . 10.8 t 35.79 30.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.762 HD12 ' HB3' ' A' ' 61' ' ' PHE . 91.9 mt -41.45 107.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -100.3 -23.75 14.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 71' ' ' SER . 10.2 m-20 -78.78 84.85 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 72' ' ' SER . 15.3 t -34.34 -57.3 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.639 ' O ' HG23 ' A' ' 76' ' ' VAL . 36.3 m -34.59 -45.88 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.86 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -58.76 -55.97 28.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 74' ' ' ARG . 14.2 mtm105 -48.9 -45.33 41.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -44.7 95.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 72' ' ' SER . 58.7 t -63.29 -53.0 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.149 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.4 mt -58.24 -58.81 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.9 mt -54.74 -57.34 11.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.5 m -51.88 -54.54 28.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.534 ' CD ' HD22 ' A' ' 32' ' ' LEU . 9.6 mm-40 -56.66 -43.71 80.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.449 HD21 ' HA ' ' A' ' 54' ' ' LEU . 9.1 tp -59.63 -42.41 92.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -56.04 -21.89 24.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -86.73 -66.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.669 HG23 HG21 ' A' ' 17' ' ' VAL . 20.4 m -47.14 -30.96 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.746 HD22 ' C ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -74.65 -4.82 39.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 110.923 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.482 ' N ' HD13 ' A' ' 11' ' ' LEU . 21.4 mt -58.21 -44.74 88.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.7 m -70.66 -16.94 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -81.88 -39.41 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -95.33 126.77 40.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.508 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . -43.49 139.7 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.685 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 68.2 t -71.4 -33.07 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.481 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -70.35 -0.36 8.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.508 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 5.1 mptp? -113.58 -3.92 13.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.685 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 43.0 m0 -64.12 173.16 2.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' GLU . 24.6 p -124.45 155.99 37.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.5 m -39.72 -26.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 21' ' ' THR . 16.7 tt0 -78.66 -52.06 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -63.61 -40.37 96.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.3 t -49.93 -50.35 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.605 HG21 ' CD2' ' A' ' 44' ' ' LEU . 94.4 t -68.9 -32.94 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.407 ' HA ' HD23 ' A' ' 27' ' ' LEU . 11.5 mt -61.69 -51.99 66.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.599 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 25.6 t90 -57.74 -42.12 83.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.634 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 19.7 tp -73.18 -26.43 61.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.947 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -77.12 7.95 4.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.44 HE22 ' CD1' ' A' ' 12' ' ' LEU . 37.3 mt-30 -110.88 -30.02 7.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.671 HD13 HG12 ' A' ' 76' ' ' VAL . 5.7 mt -61.16 -26.63 67.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.04 163.8 28.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -21.04 33.94 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.623 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 12.0 p-90 -71.69 -14.54 62.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.634 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -59.24 -26.8 65.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 t -70.46 -11.6 61.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.2 mt -87.32 -10.89 51.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.505 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 76.0 m-85 -117.62 -27.72 6.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.439 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 13.8 ptt85 -37.54 -47.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.439 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 2.9 t70 -46.5 -44.55 17.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.435 ' CD ' ' HA ' ' A' ' 66' ' ' TYR . 45.3 mtt-85 -67.26 -28.04 67.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.632 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 48.7 m-85 -74.56 -45.12 47.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.605 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.0 mm? -71.74 -54.45 10.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -50.67 -49.55 56.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.41 ' HB2' HG23 ' A' ' 48' ' ' VAL . 80.0 mm-40 -83.34 9.34 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 42.29 39.17 1.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.604 ' HA ' HD23 ' A' ' 52' ' ' LEU . 93.2 t -63.37 96.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -85.87 168.33 14.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.41 -57.77 7.07 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 55' ' ' THR . 1.3 tmt_? -43.85 -42.82 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' A' ' 48' ' ' VAL . 58.5 tp -72.79 -40.42 65.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.647 ' HA ' HD12 ' A' ' 56' ' ' LEU . 33.0 tp -53.93 -41.23 67.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 55.0 mt -67.36 -49.22 64.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 51' ' ' ARG . 43.3 p -58.74 -22.15 57.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 53' ' ' LEU . 55.3 mt -72.42 133.26 44.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.6 p -110.82 169.55 8.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -52.57 -16.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.51 -57.79 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -46.86 -41.77 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.865 ' HB3' HD12 ' A' ' 68' ' ' ILE . 47.2 m-85 -60.01 -32.01 70.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.5 t -87.21 14.75 7.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -114.56 149.08 37.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.551 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -58.95 152.29 50.71 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.581 0.705 . . . . 0.0 111.097 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 54.4 Cg_endo -69.7 -31.62 4.42 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.397 -0.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.469 ' O ' ' N ' ' A' ' 68' ' ' ILE . 2.5 m-85 -38.28 -45.28 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 65' ' ' PRO . 13.3 t 33.29 35.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.865 HD12 ' HB3' ' A' ' 61' ' ' PHE . 53.0 mt -47.23 91.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.174 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 67' ' ' THR . 18.8 mt-10 -85.55 21.48 1.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -132.42 105.13 7.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 74' ' ' ARG . 1.8 m -53.81 -59.88 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.568 ' O ' HG23 ' A' ' 76' ' ' VAL . 52.0 m -36.06 -43.21 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.623 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 57.1 t-80 -61.22 -45.54 94.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.775 ' HG3' HG21 ' A' ' 68' ' ' ILE . 46.4 mtm180 -62.91 -44.72 95.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -46.71 75.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.671 HG12 HD13 ' A' ' 32' ' ' LEU . 60.5 t -59.33 -47.27 91.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.613 HD11 ' CE1' ' A' ' 73' ' ' HIS . 76.5 mt -66.1 -61.59 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.519 HD21 ' CD2' ' A' ' 61' ' ' PHE . 4.5 mm? -52.56 -60.45 3.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 75.5 m -46.1 -61.47 1.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -54.22 -39.37 66.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.599 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 5.2 mt -64.7 -35.65 81.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -64.07 -28.9 70.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -81.9 -55.66 4.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.522 HG22 ' HA ' ' A' ' 81' ' ' LEU . 22.7 m -53.22 -36.9 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.949 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.774 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -87.26 1.88 51.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.888 0.375 . . . . 0.0 110.949 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.685 HD12 ' CZ2' ' A' ' 20' ' ' TRP . 4.4 mm? -62.52 -61.81 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.1 m -47.42 -32.86 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -78.15 -65.28 1.0 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -60.66 123.19 16.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB1' ' OD1' ' A' ' 18' ' ' ASP . . . -44.8 139.78 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.731 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 87.1 t -69.83 -32.04 50.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.492 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 5.1 p-10 -66.79 -3.87 7.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -113.04 -2.33 14.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.731 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 44.3 m0 -64.86 163.37 14.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' GLU . 24.1 p -119.65 154.71 33.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 21' ' ' THR . 1.4 m -37.25 -28.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 21' ' ' THR . 7.4 tt0 -76.92 -54.55 6.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.85 -41.84 98.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 1.015 HG13 HD12 ' A' ' 53' ' ' LEU . 47.8 t -47.88 -51.68 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.185 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.719 HG21 ' CD2' ' A' ' 44' ' ' LEU . 99.3 t -67.96 -34.67 68.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.03 -54.83 41.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.617 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 34.2 t90 -55.41 -42.57 74.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.467 HD22 ' CZ ' ' A' ' 43' ' ' PHE . 12.2 tp -73.1 -25.63 60.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -78.14 8.58 4.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -111.96 -30.45 7.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.671 HD13 HG12 ' A' ' 76' ' ' VAL . 6.6 mt -60.54 -29.48 69.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.45 165.27 32.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.458 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -25.55 28.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.631 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 9.7 p-90 -66.11 -17.47 64.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.492 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -52.96 -39.28 62.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.7 t -59.47 -11.81 5.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.6 mt -84.12 -18.71 35.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.467 ' CZ ' ' ND1' ' A' ' 73' ' ' HIS . 76.4 m-85 -113.19 -32.28 6.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.468 ' HB2' HG13 ' A' ' 26' ' ' VAL . 7.9 ptm180 -37.88 -46.64 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.446 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 31.3 m-20 -46.72 -44.28 18.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.8 mtt-85 -67.78 -37.3 81.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.467 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 73.5 m-85 -62.16 -43.82 97.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.719 ' CD2' HG21 ' A' ' 26' ' ' VAL . 2.9 mm? -70.77 -56.25 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -51.79 -44.56 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' ARG . 76.7 mm-40 -88.02 16.01 6.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' GLU . 32.0 mmt180 34.37 41.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.624 ' HA ' HD23 ' A' ' 52' ' ' LEU . 61.1 t -65.96 95.31 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -82.07 168.42 17.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -50.55 -56.11 14.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.455 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -49.31 -34.71 16.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.624 HD23 ' HA ' ' A' ' 48' ' ' VAL . 26.7 tp -80.92 -35.11 32.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.015 HD12 HG13 ' A' ' 25' ' ' VAL . 2.0 tt -62.16 -42.03 98.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.82 -45.71 92.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 51' ' ' ARG . 68.8 p -57.33 -42.93 82.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.155 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.525 HD13 ' CE1' ' A' ' 61' ' ' PHE . 70.1 mt -55.76 141.65 37.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.496 ' N ' ' OE2' ' A' ' 60' ' ' GLU . 30.6 p -124.01 -174.9 3.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.421 ' HB2' HD11 ' A' ' 78' ' ' LEU . 31.2 tt0 -60.84 -18.2 54.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -82.71 -55.78 4.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.496 ' OE2' ' N ' ' A' ' 57' ' ' THR . 1.6 mp0 -50.36 -52.25 38.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.899 ' HB3' HD12 ' A' ' 68' ' ' ILE . 22.4 m-85 -58.32 -28.32 64.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.1 t -77.88 -31.89 51.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.3 ptt85 -94.03 164.95 12.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.729 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -61.93 162.32 17.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.541 0.686 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.729 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.7 Cg_endo -69.81 -44.77 0.47 Allowed 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.298 0.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.589 ' O ' HG22 ' A' ' 67' ' ' THR . 3.6 m-85 -41.2 -48.88 3.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 66' ' ' TYR . 10.9 t 44.76 29.13 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.899 HD12 ' HB3' ' A' ' 61' ' ' PHE . 17.6 mt -34.14 94.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 67' ' ' THR . 26.8 mt-10 -85.95 43.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -154.98 106.28 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 72' ' ' SER . 66.0 m -57.93 -54.64 44.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.448 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.4 t -35.47 -50.9 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.923 ' NE2' HD11 ' A' ' 77' ' ' ILE . 13.8 t-160 -60.82 -47.25 87.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.435 ' NH1' ' O ' ' A' ' 68' ' ' ILE . 50.6 mtm-85 -57.43 -43.17 83.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.814 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -58.19 -39.0 77.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.671 HG12 HD13 ' A' ' 32' ' ' LEU . 60.0 t -66.97 -51.77 51.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.923 HD11 ' NE2' ' A' ' 73' ' ' HIS . 97.3 mt -59.25 -60.7 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.421 HD11 ' HB2' ' A' ' 58' ' ' GLU . 31.0 mt -53.8 -61.67 2.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.5 m -43.68 -62.45 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -54.83 -41.44 70.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.828 HD11 ' CD2' ' A' ' 53' ' ' LEU . 4.7 mt -57.76 -32.43 67.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -69.72 -26.12 64.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -79.3 -55.89 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.403 HG23 HG21 ' A' ' 17' ' ' VAL . 15.9 m -55.46 -41.62 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.951 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.878 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -63.92 -7.7 9.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.845 0.355 . . . . 0.0 110.921 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.621 ' N ' HD13 ' A' ' 11' ' ' LEU . 33.7 mt -55.32 -60.56 3.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.473 HG12 HG12 ' A' ' 84' ' ' VAL . 21.3 m -54.39 -38.23 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.401 ' N ' HG23 ' A' ' 13' ' ' VAL . 24.0 t-80 -56.82 -57.59 11.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -77.02 128.63 34.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.67 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . -48.28 140.12 7.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.526 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 91.1 t -66.44 -31.65 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -70.41 -0.16 7.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.67 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 4.5 mptp? -113.16 -2.41 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.526 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 40.7 m0 -67.68 168.9 10.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 25' ' ' VAL . 24.6 p -122.21 166.23 14.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 47' ' ' ARG . 1.1 m -48.1 -19.56 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -87.68 -55.24 3.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -60.05 -42.77 95.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.791 HG13 HD12 ' A' ' 53' ' ' LEU . 69.5 t -50.16 -51.58 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.675 HG21 ' CD2' ' A' ' 44' ' ' LEU . 95.2 t -68.24 -29.42 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.7 mt -65.67 -53.53 39.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -57.69 -38.44 75.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.454 HD22 ' CZ ' ' A' ' 43' ' ' PHE . 5.6 tp -75.62 -25.69 57.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -79.6 12.3 2.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -116.65 -23.65 8.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.683 HD13 ' HG3' ' A' ' 80' ' ' GLU . 4.4 mt -66.49 -25.61 66.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.07 164.2 29.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -21.51 33.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.373 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.632 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 12.5 p-90 -71.32 -14.51 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.434 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -56.93 -38.78 73.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 t -60.79 -14.89 24.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.5 mt -83.15 -12.56 56.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.446 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 70.6 m-85 -119.16 -29.19 5.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' TYR . 7.8 ptm180 -38.42 -45.41 1.02 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -46.57 -48.26 19.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.1 mtt-85 -61.67 -40.88 96.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.454 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 34.8 m-85 -59.48 -49.69 76.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.675 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.0 mm? -66.23 -56.07 13.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -51.97 -47.73 64.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -84.87 2.72 41.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.465 ' HA ' ' CG2' ' A' ' 22' ' ' THR . 0.0 OUTLIER 43.91 46.44 6.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.598 ' HA ' HD23 ' A' ' 52' ' ' LEU . 96.5 t -69.44 87.23 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -73.6 159.12 33.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.426 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -40.57 -56.11 3.05 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.458 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.623 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -44.85 -46.84 10.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.888 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.598 HD23 ' HA ' ' A' ' 48' ' ' VAL . 52.9 tp -72.12 -31.26 65.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.791 HD12 HG13 ' A' ' 25' ' ' VAL . 1.6 tt -61.79 -44.06 97.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.855 HD23 HD21 ' A' ' 81' ' ' LEU . 77.3 mt -67.77 -46.63 71.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 51' ' ' ARG . 55.2 p -55.45 -35.85 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 53' ' ' LEU . 28.4 mt -53.32 152.94 4.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.0 p -126.6 166.93 16.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -55.15 -20.37 10.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.59 -63.89 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -43.15 -45.41 5.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.552 ' HB3' HD12 ' A' ' 68' ' ' ILE . 17.7 m-85 -55.01 -35.52 64.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -78.3 -26.92 47.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -82.49 168.63 17.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.637 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -73.32 159.75 84.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.717 . . . . 0.0 111.108 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.637 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.8 Cg_endo -69.69 -44.15 0.54 Allowed 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.355 -0.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.5 m-85 -32.06 -39.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.769 ' O ' HG23 ' A' ' 67' ' ' THR . 1.3 t 32.56 34.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.552 HD12 ' HB3' ' A' ' 61' ' ' PHE . 59.2 mt -51.14 93.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.085 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -78.59 -22.41 47.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -87.49 88.08 7.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 74' ' ' ARG . 55.1 m -40.16 -53.56 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.492 ' O ' HG23 ' A' ' 76' ' ' VAL . 4.1 m -34.37 -42.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.666 ' CE1' HD11 ' A' ' 77' ' ' ILE . 57.3 t-80 -59.95 -47.67 84.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 71' ' ' SER . 16.3 mtm105 -61.05 -41.3 96.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.415 ' C ' ' HD3' ' A' ' 75' ' ' ARG . 3.6 tmt_? -58.95 -44.84 91.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.632 HG11 ' HZ2' ' A' ' 35' ' ' TRP . 66.9 t -62.69 -49.59 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.666 HD11 ' CE1' ' A' ' 73' ' ' HIS . 57.6 mt -62.11 -62.06 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.0 mt -51.56 -54.64 25.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.6 m -55.65 -52.75 62.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.683 ' HG3' HD13 ' A' ' 32' ' ' LEU . 12.3 mm-40 -58.44 -36.63 73.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.855 HD21 HD23 ' A' ' 54' ' ' LEU . 4.2 tp -69.25 -33.73 73.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -63.12 -22.88 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -87.15 -55.27 3.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.544 HG22 ' HA ' ' A' ' 81' ' ' LEU . 13.8 m -55.45 -38.28 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.774 HD22 ' C ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -78.51 -4.19 47.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.905 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.71 -57.58 12.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -57.18 -37.77 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -62.89 -54.91 31.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -79.71 126.28 30.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.616 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . -46.89 142.11 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.041 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.666 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 86.6 t -68.28 -31.64 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.439 ' OD1' ' CD ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -69.13 -1.3 7.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.616 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 3.9 mptp? -112.59 -5.06 14.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.666 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 41.2 m0 -64.54 166.55 8.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' GLU . 22.9 p -119.33 157.94 27.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -39.88 -25.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.1 tt0 -79.8 -57.84 3.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -58.78 -40.44 84.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.852 HG13 HD12 ' A' ' 53' ' ' LEU . 55.5 t -51.37 -48.58 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.635 HG21 ' CD2' ' A' ' 44' ' ' LEU . 93.5 t -71.06 -32.94 49.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.8 mt -62.27 -53.85 49.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -56.5 -40.44 74.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.481 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 8.2 tp -74.64 -27.28 60.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -77.77 8.46 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -111.72 -27.94 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.472 HD13 HG12 ' A' ' 76' ' ' VAL . 5.3 mt -62.43 -25.14 67.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.92 165.38 30.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -23.84 30.67 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.337 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.634 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 13.2 p-90 -69.66 -15.44 63.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.481 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -55.43 -31.25 61.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.079 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 t -68.06 -9.72 48.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.9 mt -85.14 -11.4 55.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.641 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 74.5 m-85 -120.14 -31.54 4.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.434 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 6.8 ptm180 -37.02 -46.94 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.796 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -45.31 -46.56 12.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 42' ' ' ARG . 1.7 mtp-105 -67.45 -39.14 85.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.413 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 35.0 m-85 -58.94 -42.97 91.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.635 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.2 mm? -74.11 -55.07 6.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -52.33 -45.06 65.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 47' ' ' ARG . 6.8 mm-40 -87.09 16.14 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 46' ' ' GLU . 11.1 mmt85 35.54 39.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.515 HG13 HD23 ' A' ' 52' ' ' LEU . 43.8 t -64.39 103.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -88.47 165.41 14.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -48.12 -47.54 26.69 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.459 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.16 -39.89 66.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 0.0 110.815 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.515 HD23 HG13 ' A' ' 48' ' ' VAL . 24.3 tp -74.62 -37.28 62.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.852 HD12 HG13 ' A' ' 25' ' ' VAL . 2.7 tt -59.43 -37.45 78.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.642 HD23 HD21 ' A' ' 81' ' ' LEU . 33.5 mt -65.16 -51.81 58.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.9 p -51.54 -48.58 63.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.909 HD13 ' CE1' ' A' ' 61' ' ' PHE . 57.1 mt -44.77 139.25 3.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.957 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 66.2 p -122.77 -179.16 4.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -56.41 -17.96 9.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.5 tt0 -90.81 -64.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -40.26 -34.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.909 ' CE1' HD13 ' A' ' 56' ' ' LEU . 14.8 m-85 -74.93 -37.38 62.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 59' ' ' GLU . 46.6 t -73.58 -25.29 60.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -102.16 165.15 11.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.64 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -58.8 159.98 11.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.515 0.674 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.64 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.5 Cg_endo -69.74 -46.27 0.37 Allowed 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.361 -0.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.516 ' O ' HG22 ' A' ' 67' ' ' THR . 2.7 m-85 -42.24 -43.16 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 66' ' ' TYR . 9.3 t 42.3 26.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.175 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.728 HD12 ' HB3' ' A' ' 61' ' ' PHE . 52.3 mt -37.55 92.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 67' ' ' THR . 19.6 mt-10 -81.61 42.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -150.99 108.59 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 74' ' ' ARG . 74.8 m -57.98 -61.31 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.568 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.4 t -36.38 -45.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.767 ' CE1' HD11 ' A' ' 77' ' ' ILE . 57.9 t-80 -59.21 -47.58 84.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 71' ' ' SER . 71.0 mtm-85 -61.59 -44.39 97.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.401 ' HD3' ' C ' ' A' ' 75' ' ' ARG . 2.5 tmt_? -55.87 -45.02 78.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.589 HG11 ' HZ2' ' A' ' 35' ' ' TRP . 57.4 t -61.5 -48.22 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.767 HD11 ' CE1' ' A' ' 73' ' ' HIS . 76.7 mt -62.56 -60.19 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 23.7 mt -52.01 -62.99 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.1 m -45.04 -64.45 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -49.87 -45.63 50.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.642 HD21 HD23 ' A' ' 54' ' ' LEU . 7.6 tp -55.91 -41.13 74.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.17 -40.45 70.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.8 mtp85 -68.07 -63.42 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.473 ' CG2' ' HA ' ' A' ' 81' ' ' LEU . 5.8 m -45.26 -46.24 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.706 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -76.63 1.23 17.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.353 . . . . 0.0 110.919 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.441 ' CD1' HE22 ' A' ' 31' ' ' GLN . 18.2 mt -59.51 -55.57 32.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 14' ' ' HIS . 35.9 m -56.71 -39.85 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.409 ' N ' HG23 ' A' ' 13' ' ' VAL . 13.2 m80 -62.88 -57.09 12.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.418 ' HE2' ' C ' ' A' ' 19' ' ' LYS . 55.9 tttt -71.71 123.11 21.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.55 134.42 19.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.063 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.615 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 81.7 t -59.12 -33.58 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.478 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -67.02 -3.45 7.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.437 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 0.7 OUTLIER -112.99 -1.88 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.615 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 43.1 m0 -66.54 166.17 13.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.483 ' O ' HG23 ' A' ' 25' ' ' VAL . 9.8 p -116.21 160.28 20.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -38.37 -34.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.88 -63.59 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -46.85 -42.92 18.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 1.072 HG13 HD12 ' A' ' 53' ' ' LEU . 89.7 t -51.44 -47.93 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.139 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.859 HG21 ' CD2' ' A' ' 44' ' ' LEU . 97.9 t -70.82 -32.12 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 27' ' ' LEU . 11.4 mt -62.45 -53.67 51.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.575 ' CD1' HG11 ' A' ' 84' ' ' VAL . 28.5 t90 -57.72 -40.86 80.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.927 HD22 ' CZ ' ' A' ' 43' ' ' PHE . 8.0 tp -74.9 -26.21 59.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.427 ' HA ' ' HB3' ' A' ' 36' ' ' ALA . 16.3 mt-10 -78.86 10.2 3.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.441 HE22 ' CD1' ' A' ' 12' ' ' LEU . 40.3 mt-30 -114.8 -28.31 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.602 HD22 ' CG ' ' A' ' 80' ' ' GLU . 7.1 mt -61.14 -24.06 66.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.68 166.32 32.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -25.08 29.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.71 2.273 . . . . 0.0 112.348 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.644 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 13.0 p-90 -68.17 -16.46 64.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 29' ' ' LEU . . . -60.28 -25.03 65.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.078 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.9 t -71.4 -14.01 62.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mt -85.53 -14.67 45.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.962 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 42' ' ' ARG . 20.1 m-85 -111.9 -28.95 7.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.452 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 14.2 ptt180 -34.99 -49.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.452 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 1.8 t70 -53.15 -44.23 67.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' TYR . 9.6 mtp85 -63.13 -31.2 72.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.927 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 15.5 m-85 -70.4 -56.17 7.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.859 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.2 mm? -59.47 -55.29 36.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -50.56 -52.31 40.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.409 ' HB2' HG23 ' A' ' 48' ' ' VAL . 25.4 mm-40 -77.02 7.8 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 46.74 34.74 2.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.96 HG13 HD12 ' A' ' 52' ' ' LEU . 86.2 t -60.81 98.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 50' ' ' GLY . 24.2 p-10 -90.43 158.01 17.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 49' ' ' ASN . . . -34.14 -64.51 0.38 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -49.2 4.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.96 HD12 HG13 ' A' ' 48' ' ' VAL . 3.3 tm? -62.01 -49.36 76.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.072 HD12 HG13 ' A' ' 25' ' ' VAL . 1.2 tt -50.08 -42.47 50.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 20.6 mt -62.37 -56.05 22.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.1 p -47.86 -34.99 9.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' ' 53' ' ' LEU . 55.7 mt -59.67 136.1 57.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.424 HG23 ' OE1' ' A' ' 60' ' ' GLU . 24.5 p -128.77 170.56 13.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.459 ' CB ' HD11 ' A' ' 78' ' ' LEU . 20.3 tt0 -44.26 -26.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.75 -65.06 1.04 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.424 ' OE1' HG23 ' A' ' 57' ' ' THR . 2.0 mp0 -44.11 -50.6 8.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.915 ' HB3' HD12 ' A' ' 68' ' ' ILE . 23.5 m-85 -55.05 -33.82 63.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.4 t -72.59 -21.51 61.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 88.6 mtt-85 -98.56 162.42 13.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.843 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.69 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -65.3 161.43 50.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.615 0.722 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.69 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.5 Cg_endo -69.75 -44.78 0.47 Allowed 'Cis proline' 0 C--N 1.342 0.217 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.337 -0.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 68' ' ' ILE . 2.9 m-85 -39.09 -40.73 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.95 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' TYR . 8.6 t 37.05 28.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.915 HD12 ' HB3' ' A' ' 61' ' ' PHE . 95.8 mt -41.25 107.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -100.4 -23.54 14.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 71' ' ' SER . 3.0 m-20 -77.84 94.58 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 70' ' ' ASN . 3.1 m -34.23 -56.9 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.844 ' O ' HG23 ' A' ' 76' ' ' VAL . 73.8 m -36.54 -50.43 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.644 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 5.6 t-80 -53.03 -51.03 63.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -61.87 -49.58 75.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -55.94 -39.92 72.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 72' ' ' SER . 52.9 t -68.93 -62.79 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.612 HD11 ' CE1' ' A' ' 73' ' ' HIS . 84.6 mt -49.46 -60.9 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.459 HD11 ' CB ' ' A' ' 58' ' ' GLU . 21.1 mt -49.81 -64.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.5 m -45.41 -67.59 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.602 ' CG ' HD22 ' A' ' 32' ' ' LEU . 32.2 mm-40 -46.77 -44.12 18.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.415 HD23 ' NH2' ' A' ' 85' ' ' ARG . 12.8 tp -61.78 -31.92 72.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.419 ' HA ' ' NE ' ' A' ' 85' ' ' ARG . 6.3 tp10 -68.56 -16.23 63.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -94.58 -63.08 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.575 HG11 ' CD1' ' A' ' 28' ' ' TRP . 6.8 m -44.9 -33.29 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.076 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 82' ' ' GLU . 10.3 ptp180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.788 HD22 ' C ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -65.43 -9.87 29.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.339 . . . . 0.0 110.919 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.423 ' N ' HD22 ' A' ' 11' ' ' LEU . 32.9 mt -51.51 -54.64 25.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.492 HG23 ' N ' ' A' ' 14' ' ' HIS . 35.8 m -60.07 -44.98 96.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.492 ' N ' HG23 ' A' ' 13' ' ' VAL . 58.9 m-70 -53.71 -42.63 68.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.433 ' HE2' ' C ' ' A' ' 19' ' ' LYS . 43.8 tttt -93.36 136.13 33.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.595 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -57.42 145.65 32.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.475 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 85.3 t -70.77 -33.82 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.162 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.44 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -68.55 -2.24 8.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.44 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 1.9 mptp? -113.48 -2.89 13.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 41.4 m0 -66.47 173.34 3.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' GLU . 24.5 p -127.26 159.18 35.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.455 HG22 HD13 ' A' ' 44' ' ' LEU . 1.7 m -40.06 -25.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.3 tt0 -79.35 -58.83 3.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -59.66 -41.9 91.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.733 HG13 HD22 ' A' ' 53' ' ' LEU . 94.7 t -50.31 -51.72 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.636 HG21 ' CD2' ' A' ' 44' ' ' LEU . 91.8 t -68.75 -33.19 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 27' ' ' LEU . 12.0 mt -61.89 -53.91 49.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.577 ' CD1' HG11 ' A' ' 84' ' ' VAL . 24.5 t90 -56.39 -40.46 74.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.457 HD22 ' CZ ' ' A' ' 43' ' ' PHE . 9.8 tp -75.03 -25.77 58.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -79.2 8.14 6.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -111.5 -29.51 7.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.598 HD22 ' CD ' ' A' ' 80' ' ' GLU . 5.6 mt -59.75 -25.51 64.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.77 165.02 29.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -21.96 32.49 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.646 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 11.6 p-90 -71.09 -14.56 62.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.438 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -55.67 -27.28 49.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.8 t -68.61 -9.77 51.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.42 HD12 ' HB2' ' A' ' 35' ' ' TRP . 34.3 mt -80.86 -23.51 39.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.769 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 49.3 m-85 -113.17 -36.49 5.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.543 ' HB2' HG13 ' A' ' 26' ' ' VAL . 7.8 ptm180 -33.98 -44.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.436 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 1.1 m-20 -49.98 -48.15 52.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' TYR . 1.7 mtp-105 -64.55 -38.32 90.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.457 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 61.7 m-85 -58.03 -42.59 85.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.636 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.0 mm? -72.43 -56.28 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -52.74 -46.03 67.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.82 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.409 ' HB2' HG23 ' A' ' 48' ' ' VAL . 71.1 mm-40 -82.59 9.15 10.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 43.32 35.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.76 HG13 HD23 ' A' ' 52' ' ' LEU . 89.9 t -62.63 103.53 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.438 ' C ' HG21 ' A' ' 25' ' ' VAL . 12.0 p-10 -90.16 173.63 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.423 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -48.19 -62.47 4.26 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.448 ' HD2' ' C ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -37.21 -59.32 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.831 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.76 HD23 HG13 ' A' ' 48' ' ' VAL . 54.2 tp -55.75 -42.37 75.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.733 HD22 HG13 ' A' ' 25' ' ' VAL . 40.6 tp -57.33 -32.27 66.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.2 mt -76.33 -45.05 34.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.3 p -59.63 -46.15 89.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.708 HD13 ' CE1' ' A' ' 61' ' ' PHE . 44.0 mt -45.78 130.17 9.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.4 p -106.88 172.88 6.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.401 ' HA ' HD11 ' A' ' 78' ' ' LEU . 11.9 tt0 -56.89 -13.92 3.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -95.06 -58.07 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 28.6 mm-40 -46.02 -40.43 10.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.708 ' CE1' HD13 ' A' ' 56' ' ' LEU . 11.5 m-85 -59.69 -34.38 72.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 74' ' ' ARG . 22.4 t -87.34 2.09 51.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -109.45 146.48 34.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.544 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -52.67 153.4 5.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.548 0.689 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.2 Cg_endo -69.81 -45.9 0.39 Allowed 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.306 0.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 68' ' ' ILE . 8.8 m-85 -35.2 -44.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 65' ' ' PRO . 13.2 t 32.39 37.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.697 HD12 ' HB3' ' A' ' 61' ' ' PHE . 70.8 mt -45.47 92.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' THR . 17.8 mt-10 -81.21 41.97 0.63 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -152.51 107.47 3.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 74' ' ' ARG . 60.3 m -59.95 -58.73 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.602 ' O ' HG23 ' A' ' 76' ' ' VAL . 44.9 m -35.58 -38.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.769 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 56.4 t-80 -68.33 -47.19 68.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 71' ' ' SER . 43.0 mtm180 -59.52 -41.82 90.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -49.74 75.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.646 HG11 ' HZ2' ' A' ' 35' ' ' TRP . 59.5 t -57.02 -46.03 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.691 HD11 ' CE1' ' A' ' 73' ' ' HIS . 56.5 mt -64.5 -61.15 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.401 HD11 ' HA ' ' A' ' 58' ' ' GLU . 16.4 mt -52.11 -60.68 2.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 90.0 m -48.02 -58.38 4.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.598 ' CD ' HD22 ' A' ' 32' ' ' LEU . 21.9 mm-40 -55.09 -39.42 69.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.496 ' HA ' HG22 ' A' ' 84' ' ' VAL . 6.8 tp -61.03 -34.8 75.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -61.8 -31.94 72.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -76.54 -54.03 7.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.577 HG11 ' CD1' ' A' ' 28' ' ' TRP . 17.1 m -60.53 -35.99 66.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.772 HD22 ' C ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -79.4 -8.68 59.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.907 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.446 ' N ' HD13 ' A' ' 11' ' ' LEU . 37.5 mt -49.74 -61.05 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.418 HG23 ' N ' ' A' ' 14' ' ' HIS . 34.8 m -50.08 -40.77 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.418 ' N ' HG23 ' A' ' 13' ' ' VAL . 18.6 t-160 -58.75 -59.49 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.406 ' HE2' ' C ' ' A' ' 19' ' ' LYS . 64.3 tttt -73.76 126.01 29.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.498 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . -49.73 136.73 17.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.729 ' HB ' HD11 ' A' ' 54' ' ' LEU . 60.0 t -62.06 -34.65 64.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.184 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -5.43 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 1.5 mptm? -111.47 -2.33 15.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.575 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 42.7 m0 -66.24 172.78 3.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' GLU . 22.6 p -127.96 159.27 35.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 m -40.96 -25.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.6 tt0 -80.37 -57.87 3.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.93 -43.22 91.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.921 HG13 HD12 ' A' ' 53' ' ' LEU . 38.2 t -47.45 -51.25 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.712 HG21 ' CD2' ' A' ' 44' ' ' LEU . 69.6 t -69.25 -35.52 68.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.4 mt -60.12 -51.89 67.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.1 t90 -57.23 -40.56 77.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.462 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 9.4 tp -75.17 -27.46 59.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -78.38 9.74 3.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.412 HE22 ' CD1' ' A' ' 12' ' ' LEU . 37.7 mt-30 -114.27 -22.99 9.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.492 HD13 HG12 ' A' ' 76' ' ' VAL . 5.4 mt -68.59 -26.2 65.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.88 165.6 31.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.49 29.59 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.349 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.74 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 11.7 p-90 -67.88 -16.46 64.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.462 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -55.08 -40.1 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.442 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 9.3 t -59.0 -14.22 8.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.1 mt -80.55 -14.87 57.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.493 ' CZ ' ' ND1' ' A' ' 73' ' ' HIS . 59.1 m-85 -118.96 -33.17 4.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HB2' HG13 ' A' ' 26' ' ' VAL . 6.6 ptm180 -38.97 -41.56 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -52.81 -44.62 66.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.7 mtt-85 -64.65 -40.46 95.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -58.92 -54.91 41.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.712 ' CD2' HG21 ' A' ' 26' ' ' VAL . 2.6 mm? -58.06 -57.16 14.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -53.08 -43.17 66.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -84.59 8.53 16.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 41.61 39.56 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.63 ' HA ' HD23 ' A' ' 52' ' ' LEU . 44.3 t -70.08 107.05 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.484 ' C ' HG21 ' A' ' 25' ' ' VAL . 11.7 p30 -89.23 179.32 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.77 -63.14 4.98 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.428 ' O ' HG23 ' A' ' 55' ' ' THR . 2.6 tpt180 -43.35 -64.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.63 HD23 ' HA ' ' A' ' 48' ' ' VAL . 32.0 tp -46.64 -37.33 8.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.921 HD12 HG13 ' A' ' 25' ' ' VAL . 3.6 tt -64.19 -49.98 69.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.729 HD11 ' HB ' ' A' ' 17' ' ' VAL . 15.3 mt -62.02 -46.29 89.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 51' ' ' ARG . 43.8 p -54.91 -41.24 70.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.853 HD13 ' CE1' ' A' ' 61' ' ' PHE . 21.9 mt -52.83 157.4 1.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.8 p -118.51 168.67 10.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.146 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -61.39 -23.71 65.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.496 ' OE2' ' NE ' ' A' ' 63' ' ' ARG . 1.0 OUTLIER -83.0 -55.23 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -46.14 -45.66 16.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.866 ' HB3' HD12 ' A' ' 68' ' ' ILE . 23.8 m-85 -56.56 -29.59 62.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.423 ' HB2' ' NE ' ' A' ' 74' ' ' ARG . 10.6 t -95.59 7.11 47.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.496 ' NE ' ' OE2' ' A' ' 59' ' ' GLU . 15.9 mmt180 -100.59 -78.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.554 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -177.62 152.99 0.95 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.531 0.682 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.7 Cg_endo -69.76 -40.48 1.1 Allowed 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.313 -0.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.604 ' OH ' HG21 ' A' ' 48' ' ' VAL . 4.9 m-85 -35.13 -43.78 0.22 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 68' ' ' ILE . 11.5 t 38.06 26.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.866 HD12 ' HB3' ' A' ' 61' ' ' PHE . 97.5 mt -33.58 99.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -86.52 26.95 1.01 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.443 ' H ' HG22 ' A' ' 68' ' ' ILE . 7.8 t30 -142.72 105.67 4.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 72' ' ' SER . 16.0 m -51.96 -55.67 18.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.479 ' O ' HG23 ' A' ' 76' ' ' VAL . 3.2 m -34.52 -52.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.635 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 11.1 t-160 -56.97 -49.23 76.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.515 ' HG3' HG21 ' A' ' 68' ' ' ILE . 54.5 mtm180 -56.63 -46.35 81.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.408 ' C ' ' HD3' ' A' ' 75' ' ' ARG . 2.4 tmt_? -54.39 -40.25 68.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.74 HG11 ' HZ2' ' A' ' 35' ' ' TRP . 59.8 t -63.54 -50.48 78.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.467 HD11 ' NE2' ' A' ' 73' ' ' HIS . 62.1 mt -61.78 -66.23 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -46.32 -61.79 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.3 m -47.57 -63.99 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -50.88 -35.33 32.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.403 ' HA ' HG22 ' A' ' 84' ' ' VAL . 6.6 tp -67.31 -37.44 83.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.33 -25.28 65.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -82.54 -64.63 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.403 HG22 ' HA ' ' A' ' 81' ' ' LEU . 9.7 m -44.62 -44.28 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.844 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -73.8 1.4 10.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.832 0.349 . . . . 0.0 110.939 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 28' ' ' TRP . 2.6 mp -64.97 -60.63 2.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.7 m -44.52 -34.78 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -73.8 -65.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 16' ' ' ALA . 20.9 tttt -59.36 108.03 0.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' LYS . . . -35.17 137.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.062 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.558 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 97.1 t -60.97 -30.92 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.413 ' OD1' ' HD2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -65.28 -4.2 5.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.413 ' HD2' ' OD1' ' A' ' 18' ' ' ASP . 3.3 mptp? -107.88 -4.62 17.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.558 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 36.7 m0 -68.71 165.61 19.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' GLU . 16.2 p -120.52 157.02 30.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' THR . 2.3 m -37.51 -27.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.0 tt0 -78.87 -61.89 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.3 -45.72 69.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.658 HG13 HD22 ' A' ' 53' ' ' LEU . 91.0 t -45.35 -49.9 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.497 HG13 ' HB2' ' A' ' 40' ' ' ARG . 58.4 t -69.42 -37.56 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.0 mt -58.95 -49.32 78.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.572 ' CZ3' HD21 ' A' ' 53' ' ' LEU . 25.1 t90 -58.17 -39.93 80.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.509 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 8.2 tp -76.4 -28.08 56.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.423 ' HA ' ' HB3' ' A' ' 36' ' ' ALA . 8.5 mt-10 -76.42 7.42 4.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -109.29 -29.68 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.648 HD13 HG12 ' A' ' 76' ' ' VAL . 7.0 mt -61.48 -26.97 68.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.83 165.58 31.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -23.63 30.47 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.671 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 12.1 p-90 -69.61 -15.24 63.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.509 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -56.75 -40.52 75.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.118 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 t -59.82 -14.59 15.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.7 mt -83.44 -11.47 57.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.599 ' CD1' ' NE2' ' A' ' 73' ' ' HIS . 39.7 m-85 -119.64 -33.78 3.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.614 ' O ' HD22 ' A' ' 44' ' ' LEU . 9.7 ptm180 -36.34 -41.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -47.63 -47.49 29.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.8 mtm105 -58.64 -42.14 87.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.458 ' HD2' HG12 ' A' ' 25' ' ' VAL . 2.9 m-85 -58.22 -58.66 7.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.614 HD22 ' O ' ' A' ' 40' ' ' ARG . 1.1 mm? -55.69 -57.45 11.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -51.42 -46.23 62.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -86.6 9.43 18.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 41.11 40.24 1.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.677 HG13 HD23 ' A' ' 52' ' ' LEU . 84.7 t -66.09 102.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -83.77 166.35 18.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' A' ' 17' ' ' VAL . . . -46.67 -59.36 5.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.408 ' HG2' ' OD2' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -41.78 -53.25 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.362 . . . . 0.0 110.881 -179.853 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.677 HD23 HG13 ' A' ' 48' ' ' VAL . 51.2 tp -60.14 -39.11 85.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.71 ' HA ' HD12 ' A' ' 56' ' ' LEU . 24.8 tp -56.73 -35.88 69.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.4 mt -69.01 -54.72 13.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.2 p -51.54 -32.87 29.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 53' ' ' LEU . 69.8 mt -61.02 129.33 40.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' GLU . 80.6 p -122.07 166.65 14.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -38.81 -26.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 57' ' ' THR . 1.3 tt0 -83.01 -66.71 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -41.61 -41.15 2.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.551 ' CD2' HD11 ' A' ' 78' ' ' LEU . 55.1 m-85 -62.85 -38.23 89.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.4 p -77.52 4.54 10.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -112.16 148.61 33.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.642 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -62.58 159.77 40.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 111.097 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.642 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.3 Cg_endo -69.8 -28.61 6.18 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.32 0.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.493 ' O ' ' C ' ' A' ' 67' ' ' THR . 1.5 m-85 -46.48 -44.07 17.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.591 ' O ' HG23 ' A' ' 67' ' ' THR . 8.2 t 28.97 42.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.541 HD13 ' ND1' ' A' ' 73' ' ' HIS . 20.6 mt -53.26 91.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -86.14 44.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -148.63 108.99 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 72' ' ' SER . 54.7 m -52.67 -60.9 2.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.655 ' O ' HG23 ' A' ' 76' ' ' VAL . 11.7 t -35.69 -48.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.671 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 2.7 t-80 -54.54 -51.6 64.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.835 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 72.1 mtm-85 -63.83 -47.41 80.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -54.93 -41.85 71.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 72' ' ' SER . 58.1 t -73.08 -53.85 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.571 HD11 ' CE1' ' A' ' 73' ' ' HIS . 54.3 mt -54.58 -64.58 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.551 HD11 ' CD2' ' A' ' 61' ' ' PHE . 10.1 mp -48.55 -68.84 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' LEU . 55.2 m -37.4 -61.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.44 ' HG3' HD13 ' A' ' 32' ' ' LEU . 16.5 mm-40 -56.71 -35.52 68.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.453 ' HA ' HG22 ' A' ' 84' ' ' VAL . 8.3 tp -67.61 -38.26 83.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -60.72 -21.46 62.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.3 mtt-85 -88.31 -61.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.53 HG23 HG21 ' A' ' 17' ' ' VAL . 15.7 m -52.28 -32.72 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.813 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -73.33 1.81 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.926 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.48 ' N ' HD13 ' A' ' 11' ' ' LEU . 52.0 mt -68.86 -49.22 60.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.7 m -65.0 -24.0 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -82.85 -45.43 14.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.402 ' HD3' ' CD1' ' A' ' 20' ' ' TRP . 20.6 tttp -81.74 134.28 35.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.44 134.99 57.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.58 ' HA ' ' CD1' ' A' ' 20' ' ' TRP . 59.6 t -63.39 -33.45 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.42 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 2.0 p-10 -64.13 -6.13 6.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 4.6 mptp? -113.59 -1.16 14.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.58 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 43.2 m0 -65.94 162.97 18.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.1 p -113.3 156.98 22.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.489 HG22 HD13 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -37.89 -35.26 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -72.3 -59.44 2.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -52.15 -45.37 65.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.675 HG13 HD22 ' A' ' 53' ' ' LEU . 91.7 t -48.59 -50.53 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.918 HG21 ' CD2' ' A' ' 44' ' ' LEU . 90.0 t -69.04 -38.48 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.3 mt -58.08 -50.12 74.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.606 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 25.3 t90 -56.98 -41.14 77.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.59 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 11.3 tp -73.65 -26.94 61.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.951 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -76.73 7.42 4.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.433 HE22 ' CD1' ' A' ' 12' ' ' LEU . 38.2 mt-30 -112.31 -21.53 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.596 HD13 HG12 ' A' ' 76' ' ' VAL . 5.9 mt -72.6 -26.64 61.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.3 164.58 31.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -24.97 29.03 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.645 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 12.9 p-90 -66.75 -17.45 64.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.59 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -56.91 -30.82 64.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.6 t -68.76 -9.6 51.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.3 mt -88.31 -10.93 47.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 42' ' ' ARG . 23.1 m-85 -119.23 -23.61 6.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.427 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 14.1 ptt180 -38.81 -48.33 1.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 2.1 m-20 -53.24 -39.86 64.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' TYR . 9.2 mtp85 -67.89 -35.77 79.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.552 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 3.5 m-85 -67.8 -52.59 35.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.918 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.4 mm? -62.01 -55.72 26.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 t -51.57 -49.55 61.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.491 ' HB2' HG23 ' A' ' 48' ' ' VAL . 28.0 mm-40 -76.42 6.87 5.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 48.29 32.87 3.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.869 HG13 HD12 ' A' ' 52' ' ' LEU . 80.3 t -61.36 97.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 50' ' ' GLY . 6.1 p-10 -91.96 162.64 14.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 49' ' ' ASN . . . -33.97 -67.14 0.25 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.509 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -42.58 -45.07 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.857 -179.855 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.869 HD12 HG13 ' A' ' 48' ' ' VAL . 1.7 tm? -63.52 -49.76 72.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.77 ' HA ' HD12 ' A' ' 56' ' ' LEU . 18.2 tp -48.37 -37.52 16.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.5 mt -71.77 -52.72 16.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 51' ' ' ARG . 45.1 p -51.74 -18.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' ' 53' ' ' LEU . 65.4 mt -74.13 145.18 44.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 59' ' ' GLU . 72.9 p -137.23 163.13 31.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 57' ' ' THR . 17.4 tt0 -34.4 -33.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 62' ' ' SER . 4.7 mt-10 -73.26 -75.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 59' ' ' GLU . 79.4 mm-40 -35.49 -40.17 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.764 ' HB3' HD12 ' A' ' 68' ' ' ILE . 18.6 m-85 -62.66 -45.34 93.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.6 p -75.64 -9.6 58.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 49.7 mmm-85 -96.15 148.51 22.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.678 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -60.87 160.82 17.92 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.532 0.682 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.678 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.8 Cg_endo -69.77 -27.1 7.02 Favored 'Cis proline' 0 C--N 1.341 0.143 0 C-N-CA 122.717 -1.785 . . . . 0.0 112.33 0.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.498 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.5 m-85 -50.41 -42.09 53.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 66' ' ' TYR . 10.7 t 34.93 31.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.764 HD12 ' HB3' ' A' ' 61' ' ' PHE . 88.1 mt -43.65 105.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -98.81 -27.19 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 71' ' ' SER . 2.5 m-20 -76.76 92.26 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 74' ' ' ARG . 4.9 m -33.63 -54.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.643 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.3 t -36.15 -49.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.645 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 5.2 t-80 -56.32 -45.12 80.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 71' ' ' SER . 12.4 mtm180 -67.06 -47.22 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -59.43 -44.84 92.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 72' ' ' SER . 85.2 t -64.19 -59.13 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.615 HD11 ' CE1' ' A' ' 73' ' ' HIS . 68.9 mt -54.75 -59.19 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.2 mt -53.5 -68.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.3 m -38.47 -63.3 0.51 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -52.97 -47.49 68.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.606 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 6.0 mt -55.72 -31.45 62.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -74.31 -15.74 60.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -94.56 -55.11 3.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 12.4 m -51.38 -42.65 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 12' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 12' ' ' LEU . 0.8 OUTLIER -35.72 -32.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.926 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.512 HD12 ' CH2' ' A' ' 20' ' ' TRP . 4.1 mm? -33.49 -61.6 0.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 10' ' ' GLY . 15.8 m -63.97 -40.05 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -60.62 -69.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -63.5 136.53 57.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.591 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . -56.73 134.44 54.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.05 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.873 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 79.7 t -62.99 -29.82 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.498 ' OD1' ' CD ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -69.39 -1.11 7.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.591 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 4.3 mptp? -113.44 -2.05 14.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.873 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 46.7 m0 -64.56 162.35 15.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.939 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 23' ' ' GLU . 20.7 p -117.46 157.01 27.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.418 HG22 HD13 ' A' ' 44' ' ' LEU . 1.8 m -37.74 -27.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.132 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 21' ' ' THR . 10.4 tt0 -78.64 -56.16 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -60.43 -43.26 96.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.846 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 50' ' ' GLY . 55.6 t -48.18 -50.0 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.704 HG21 ' CD2' ' A' ' 44' ' ' LEU . 90.3 t -71.25 -34.94 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.15 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' A' ' 27' ' ' LEU . 11.6 mt -59.9 -51.31 70.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.59 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 21.6 t90 -56.12 -40.26 73.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.605 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 9.2 tp -72.99 -26.8 61.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -76.11 5.88 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -108.66 -25.61 10.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.664 HD13 HG12 ' A' ' 76' ' ' VAL . 4.1 mt -67.85 -28.73 67.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.61 164.05 30.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -22.41 31.74 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.647 2.231 . . . . 0.0 112.34 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.665 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.8 p-90 -69.53 -15.55 63.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.605 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -54.76 -37.2 65.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 t -64.93 -12.43 49.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.9 mt -85.05 -15.53 43.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -116.37 -29.82 6.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -39.61 -36.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.41 -45.05 62.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.427 ' HB2' ' NH1' ' A' ' 42' ' ' ARG . 14.9 mtm105 -68.62 -30.61 69.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -68.5 -50.64 50.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.704 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.1 mm? -65.12 -54.35 31.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -52.22 -43.63 64.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -86.17 4.99 36.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 45.32 39.16 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.552 ' HA ' HD23 ' A' ' 52' ' ' LEU . 35.0 t -63.4 99.2 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -88.71 162.02 16.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.424 ' N ' ' CG2' ' A' ' 25' ' ' VAL . . . -40.65 -61.48 1.86 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.46 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -43.45 -43.3 5.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 0.0 110.836 -179.867 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.552 HD23 ' HA ' ' A' ' 48' ' ' VAL . 13.2 tp -70.76 -39.77 73.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.558 ' CD2' HD21 ' A' ' 81' ' ' LEU . 51.5 tp -55.9 -55.2 35.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 68.6 mt -49.35 -55.56 12.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.958 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 51' ' ' ARG . 43.7 p -51.07 -45.9 61.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 53' ' ' LEU . 85.6 mt -52.64 131.3 34.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 70.7 p -116.71 171.92 7.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -40.28 -42.69 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -65.08 -71.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 59' ' ' GLU . 10.2 mm-40 -34.95 -44.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.517 ' HB3' HD12 ' A' ' 68' ' ' ILE . 30.7 m-85 -57.86 -45.01 86.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 59' ' ' GLU . 35.9 t -76.63 -7.87 56.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -96.8 145.94 25.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.613 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -58.27 158.96 12.52 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.529 0.681 . . . . 0.0 111.127 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.613 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.8 Cg_endo -69.75 -29.08 5.9 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.737 -1.776 . . . . 0.0 112.324 0.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.479 ' O ' ' C ' ' A' ' 67' ' ' THR . 1.2 m-85 -45.7 -44.54 13.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 67' ' ' THR . 13.6 t 30.69 41.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.624 HD13 ' ND1' ' A' ' 73' ' ' HIS . 32.5 mt -50.64 89.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 67' ' ' THR . 20.0 mt-10 -79.55 44.32 0.61 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.95 114.06 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 72' ' ' SER . 10.7 t -60.45 -57.43 12.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.673 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.4 t -35.82 -42.01 0.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.761 ' CE1' HD11 ' A' ' 77' ' ' ILE . 29.9 t-80 -64.18 -49.63 71.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 62' ' ' SER . 46.7 mtm180 -62.98 -43.25 99.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -55.92 -48.04 76.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 72' ' ' SER . 53.3 t -64.61 -58.43 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.761 HD11 ' CE1' ' A' ' 73' ' ' HIS . 56.2 mt -50.01 -56.72 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 79' ' ' THR . 6.8 mp -59.55 -70.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 78' ' ' LEU . 73.4 m -34.19 -51.33 0.43 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.456 ' OE2' HD22 ' A' ' 32' ' ' LEU . 6.3 mm-40 -64.47 -45.59 86.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.59 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 4.6 mt -61.27 -30.56 70.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.45 -28.76 68.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -84.44 -63.15 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.475 HG22 ' HA ' ' A' ' 81' ' ' LEU . 27.8 m -42.47 -40.06 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.963 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.3 p -91.69 42.21 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.379 . . . . 0.0 110.845 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 4' ' ' GLY . 69.4 m -94.99 105.01 16.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 38.09 -152.42 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.3 p -61.49 172.4 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.907 0.384 . . . . 0.0 110.838 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -68.68 105.79 2.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.22 143.4 4.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -131.21 140.78 49.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.488 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 0.5 OUTLIER -87.15 86.27 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.06 -45.42 0.22 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.787 HD22 ' C ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -70.22 -6.85 37.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.879 0.371 . . . . 0.0 110.926 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.549 ' N ' HD13 ' A' ' 11' ' ' LEU . 3.9 mm? -46.24 -59.76 2.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.551 HG23 ' N ' ' A' ' 14' ' ' HIS . 24.1 m -63.93 -46.57 93.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.551 ' N ' HG23 ' A' ' 13' ' ' VAL . 78.3 m-70 -50.34 -31.58 14.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -102.48 124.3 47.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.93 136.88 6.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.868 HG21 HG23 ' A' ' 84' ' ' VAL . 66.3 t -67.76 -23.81 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.087 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.555 ' CG ' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -77.41 0.41 22.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -115.56 -3.1 12.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.648 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 41.7 m0 -64.44 168.58 5.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.54 ' O ' HG23 ' A' ' 25' ' ' VAL . 25.3 p -121.76 162.06 21.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.414 HG22 HD13 ' A' ' 44' ' ' LEU . 2.0 m -42.9 -23.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 21' ' ' THR . 6.6 tt0 -81.67 -61.46 1.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -55.18 -40.02 70.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.714 HG13 HD22 ' A' ' 53' ' ' LEU . 91.9 t -52.41 -46.05 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.686 HG21 ' CD2' ' A' ' 44' ' ' LEU . 88.1 t -75.57 -33.82 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.98 -49.2 75.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.587 ' CZ3' HD21 ' A' ' 53' ' ' LEU . 12.2 t90 -61.72 -39.35 91.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.48 HD22 ' CE2' ' A' ' 43' ' ' PHE . 6.7 tp -75.41 -24.62 57.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -78.79 5.92 10.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -108.24 -26.73 10.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.517 HD13 HG12 ' A' ' 76' ' ' VAL . 5.7 mt -62.95 -26.74 68.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.64 163.57 28.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -20.05 35.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.655 2.237 . . . . 0.0 112.341 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.609 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 11.5 p-90 -72.91 -13.54 61.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.96 -27.51 61.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 t -68.41 -14.8 63.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.3 mt -83.7 -13.18 54.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.59 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 65.8 m-85 -118.15 -30.24 5.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.441 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 10.7 ptm180 -40.62 -44.95 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.402 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -51.76 -40.36 60.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.5 mtt85 -72.12 -24.49 61.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.48 ' CE2' HD22 ' A' ' 29' ' ' LEU . 4.9 m-85 -76.73 -41.73 43.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.686 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.3 mm? -72.62 -54.62 8.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -52.35 -44.51 65.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.465 ' HB2' HG23 ' A' ' 48' ' ' VAL . 55.5 mm-40 -85.37 12.07 9.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 40.49 34.35 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.566 HG13 HD23 ' A' ' 52' ' ' LEU . 41.1 t -60.25 103.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -89.71 175.04 7.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -55.53 -57.95 16.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.691 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -46.11 -36.82 6.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.893 0.378 . . . . 0.0 110.884 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.566 HD23 HG13 ' A' ' 48' ' ' VAL . 29.0 tp -81.18 -33.12 33.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.714 HD22 HG13 ' A' ' 25' ' ' VAL . 53.8 tp -60.59 -37.06 80.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.555 ' CD1' ' CG ' ' A' ' 18' ' ' ASP . 96.9 mt -72.03 -41.15 67.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 51' ' ' ARG . 25.7 p -60.04 -40.15 88.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 53' ' ' LEU . 41.2 mt -55.79 126.79 27.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.6 p -110.66 171.79 7.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -40.9 -44.53 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 62' ' ' SER . 4.0 mt-10 -63.03 -67.81 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 59' ' ' GLU . 5.4 mm-40 -36.52 -46.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.9 ' HB3' HD12 ' A' ' 68' ' ' ILE . 18.1 m-85 -60.98 -42.11 97.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 59' ' ' GLU . 1.4 t -75.0 -13.9 60.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.7 mmm-85 -96.55 147.92 23.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.72 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -56.97 162.13 4.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.572 0.701 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.72 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.6 Cg_endo -69.75 -28.91 6.0 Favored 'Cis proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.354 -0.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 67' ' ' THR . 2.4 m-85 -48.46 -44.18 35.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 66' ' ' TYR . 14.5 t 33.43 37.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.138 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.9 HD12 ' HB3' ' A' ' 61' ' ' PHE . 75.7 mt -45.57 93.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' THR . 36.7 mt-10 -81.24 41.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -154.7 106.08 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 74' ' ' ARG . 19.9 m -53.11 -58.48 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.62 ' O ' HG23 ' A' ' 76' ' ' VAL . 7.8 t -36.93 -42.71 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.893 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.597 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 56.5 t-80 -60.61 -44.31 96.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' SER . 17.8 mtm105 -67.64 -39.78 84.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -36.09 79.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 72' ' ' SER . 93.7 t -69.31 -44.52 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 62.3 mt -69.03 -63.58 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.7 mt -46.8 -52.81 13.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.6 m -56.11 -67.86 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.481 ' HG3' HD13 ' A' ' 32' ' ' LEU . 28.7 mm-40 -45.94 -39.01 8.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.496 HD21 ' HA ' ' A' ' 54' ' ' LEU . 7.7 tp -61.8 -44.67 96.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -58.38 -17.7 22.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -88.16 -57.14 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.868 HG23 HG21 ' A' ' 17' ' ' VAL . 25.6 m -60.95 -31.77 50.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.411 ' CG ' ' N ' ' A' ' 86' ' ' SER . 17.5 ptt180 -77.53 -43.05 33.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.411 ' N ' ' CG ' ' A' ' 85' ' ' ARG . 10.6 t -92.58 113.28 25.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -95.11 -163.8 34.89 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 135.89 31.69 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.4 m -72.69 -58.53 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 t 62.19 54.38 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.539 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t -161.44 127.06 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 0.0 110.925 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 p 38.85 44.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.92 -54.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -55.41 -51.91 65.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -114.32 158.33 21.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.37 136.6 12.98 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -121.16 28.15 8.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.7 m170 54.49 54.02 9.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.19 -69.56 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.894 HD13 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -52.88 -19.32 2.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.937 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.894 ' N ' HD13 ' A' ' 11' ' ' LEU . 12.2 mt -41.07 -67.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.598 HG23 ' N ' ' A' ' 14' ' ' HIS . 32.6 m -49.39 -49.64 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.598 ' N ' HG23 ' A' ' 13' ' ' VAL . 43.3 t-80 -49.27 -74.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -57.02 119.87 7.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.53 140.26 3.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.752 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 88.5 t -66.44 -29.39 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.434 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 1.0 OUTLIER -65.95 -4.54 7.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 2.2 mptm? -113.12 -2.27 14.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.752 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 42.4 m0 -66.92 163.55 19.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.467 ' O ' HG23 ' A' ' 25' ' ' VAL . 21.8 p -114.55 159.04 20.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.404 HG22 HD13 ' A' ' 44' ' ' LEU . 3.7 m -42.96 -27.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.136 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -78.58 -54.52 6.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -60.0 -41.2 91.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.83 HG13 HD22 ' A' ' 53' ' ' LEU . 96.1 t -51.73 -44.78 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.756 HG21 ' CD2' ' A' ' 44' ' ' LEU . 97.7 t -74.29 -32.95 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.62 -48.66 76.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.967 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.686 ' CZ3' HD21 ' A' ' 53' ' ' LEU . 11.0 t90 -61.76 -40.09 93.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.545 HD22 ' CE2' ' A' ' 43' ' ' PHE . 6.9 tp -73.55 -28.9 62.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.523 ' HA ' ' HB3' ' A' ' 36' ' ' ALA . 33.7 mt-10 -75.4 5.58 5.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.453 ' NE2' ' HA ' ' A' ' 28' ' ' TRP . 38.0 mt-30 -107.28 -27.32 10.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.49 HD13 HG12 ' A' ' 76' ' ' VAL . 4.1 mt -63.43 -23.75 67.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.55 164.74 29.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -21.66 33.23 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.494 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 13.3 p-90 -71.71 -14.22 61.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 30' ' ' GLU . . . -58.97 -20.45 52.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.5 t -77.15 -7.99 56.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.3 mt -89.79 -15.7 31.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.422 ' O ' ' N ' ' A' ' 42' ' ' ARG . 63.3 m-85 -113.84 -24.97 8.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.42 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 14.8 ptt85 -38.51 -46.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.42 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -53.04 -43.56 66.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 39' ' ' TYR . 36.8 mtt-85 -66.37 -26.41 67.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.545 ' CE2' HD22 ' A' ' 29' ' ' LEU . 3.5 m-85 -79.21 -47.95 15.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.756 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.3 mm? -66.3 -55.76 14.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 t -50.53 -47.22 57.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -82.27 17.17 1.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 38.85 34.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.093 HG13 HD12 ' A' ' 52' ' ' LEU . 47.3 t -55.38 104.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 50' ' ' GLY . 4.2 p-10 -97.04 162.18 13.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 49' ' ' ASN . . . -34.23 -67.7 0.24 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.635 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -41.42 -48.73 3.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 110.899 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 1.093 HD12 HG13 ' A' ' 48' ' ' VAL . 3.0 tm? -59.24 -48.84 80.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.83 HD22 HG13 ' A' ' 25' ' ' VAL . 19.6 tp -49.52 -44.08 46.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.411 ' HA ' HD21 ' A' ' 81' ' ' LEU . 33.2 mt -68.64 -50.12 53.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 51' ' ' ARG . 66.7 p -51.18 -27.39 8.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.589 HD12 ' HA ' ' A' ' 53' ' ' LEU . 60.4 mt -67.99 129.69 40.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.2 p -118.33 172.25 7.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -51.52 -16.95 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.1 -59.22 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -47.0 -37.29 8.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.688 ' HB3' HD12 ' A' ' 68' ' ' ILE . 12.3 m-85 -64.26 -31.13 72.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.2 t -77.97 6.1 8.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -115.62 145.88 42.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.777 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -63.74 163.93 19.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.617 0.722 . . . . 0.0 111.081 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.777 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.3 Cg_endo -69.81 -16.62 12.28 Favored 'Cis proline' 0 C--O 1.232 0.179 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.316 0.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.506 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.8 m-85 -56.28 -46.78 79.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.762 ' O ' HG23 ' A' ' 67' ' ' THR . 1.9 t 30.59 38.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.688 HD12 ' HB3' ' A' ' 61' ' ' PHE . 73.1 mt -50.91 97.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -82.79 -21.57 34.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -85.97 90.88 8.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.5 m -38.85 -49.32 1.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.489 ' O ' HG23 ' A' ' 76' ' ' VAL . 75.5 m -39.71 -47.5 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.48 ' CE1' HD11 ' A' ' 77' ' ' ILE . 26.7 t-80 -55.4 -47.38 75.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.786 ' O ' HD12 ' A' ' 78' ' ' LEU . 32.8 mtm180 -62.25 -33.23 74.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -71.03 -40.32 71.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.494 HG11 ' HZ2' ' A' ' 35' ' ' TRP . 64.0 t -65.58 -60.63 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.48 HD11 ' CE1' ' A' ' 73' ' ' HIS . 72.2 mt -52.7 -58.83 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 74' ' ' ARG . 12.4 mt -51.75 -66.62 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 85.9 m -43.7 -58.04 2.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.481 ' CD ' HD22 ' A' ' 32' ' ' LEU . 9.3 mm-40 -54.39 -41.46 69.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 54' ' ' LEU . 5.9 tp -59.78 -37.77 80.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.472 ' C ' ' CD ' ' A' ' 82' ' ' GLU . 5.3 tm-20 -58.38 -33.42 69.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -74.39 -66.3 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.46 HG23 ' N ' ' A' ' 85' ' ' ARG . 15.4 m -44.31 -46.87 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.46 ' N ' HG23 ' A' ' 84' ' ' VAL . 5.0 ptm180 -68.79 -42.78 76.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.414 ' N ' ' CG ' ' A' ' 85' ' ' ARG . 3.6 t -104.17 98.55 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -123.16 146.19 16.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 144.96 56.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 34.2 t -75.02 98.22 3.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.8 m -83.95 156.46 22.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.7 p -44.7 142.46 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 0.0 110.88 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -158.77 157.13 31.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.43 -97.64 0.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 m -47.68 157.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.918 0.389 . . . . 0.0 110.875 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -90.72 -44.81 9.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.4 107.62 1.08 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.535 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' HIS . 1.3 mp0 -112.46 101.41 9.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.925 0.393 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 8' ' ' GLU . 7.8 p-80 -34.49 118.0 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.832 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.74 -43.28 1.09 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.823 HD22 ' C ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -67.03 -9.52 40.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.909 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.47 ' N ' HD13 ' A' ' 11' ' ' LEU . 95.9 mt -51.9 -56.77 12.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.432 HG23 ' N ' ' A' ' 14' ' ' HIS . 27.3 m -54.93 -41.75 59.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.432 ' N ' HG23 ' A' ' 13' ' ' VAL . 4.4 t-80 -61.4 -61.8 2.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -69.51 120.84 15.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.416 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . -42.11 137.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.804 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 74.3 t -69.45 -27.05 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.443 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -71.52 0.64 7.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 4.2 mptp? -114.38 -3.68 13.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.804 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 40.7 m0 -65.42 166.44 10.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.6 p -119.59 164.3 16.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -44.0 -26.09 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -80.01 -60.63 2.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.15 -42.76 69.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.68 HG13 HD22 ' A' ' 53' ' ' LEU . 58.6 t -49.37 -49.75 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.467 HG21 ' CD2' ' A' ' 44' ' ' LEU . 69.2 t -68.66 -36.09 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.6 mt -58.93 -52.9 63.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.595 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 32.5 t90 -56.09 -41.84 75.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.584 HD22 ' CE2' ' A' ' 43' ' ' PHE . 10.2 tp -74.59 -26.3 59.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -79.57 11.79 2.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -116.97 -24.56 7.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.566 HD13 HG12 ' A' ' 76' ' ' VAL . 7.5 mt -66.52 -26.03 66.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.8 165.77 32.24 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -24.14 30.12 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.62 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 10.2 p-90 -68.34 -15.15 63.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.433 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -56.83 -37.74 71.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 t -62.42 -13.16 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.3 mt -84.55 -12.49 54.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 40' ' ' ARG . 64.3 m-85 -118.67 -33.06 4.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.507 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 7.1 ptm180 -35.71 -51.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.507 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 51.4 m-20 -46.59 -44.24 17.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' TYR . 15.8 mtt85 -67.02 -33.9 76.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.584 ' CE2' HD22 ' A' ' 29' ' ' LEU . 3.8 m-85 -64.59 -48.08 76.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.503 HD22 ' O ' ' A' ' 40' ' ' ARG . 2.9 mm? -63.18 -54.88 30.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -53.91 -41.12 67.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.447 ' HG3' ' CE1' ' A' ' 66' ' ' TYR . 29.7 mm-40 -85.8 10.55 13.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 42.67 36.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.519 ' HA ' HD23 ' A' ' 52' ' ' LEU . 58.3 t -62.12 93.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -89.15 164.24 15.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.1 -61.08 1.78 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.453 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.417 ' O ' HG22 ' A' ' 55' ' ' THR . 0.0 OUTLIER -42.52 -48.99 5.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.519 HD23 ' HA ' ' A' ' 48' ' ' VAL . 16.6 tp -67.08 -37.65 84.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.68 HD22 HG13 ' A' ' 25' ' ' VAL . 14.9 tp -60.98 -16.33 41.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 52.0 mt -90.42 -51.04 5.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.517 HG23 HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -63.95 -25.3 68.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 53' ' ' LEU . 33.5 mt -60.46 134.65 57.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 58' ' ' GLU . 39.4 p -122.95 166.28 15.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 57' ' ' THR . 7.2 tt0 -36.19 -42.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.4 mp0 -57.55 -71.25 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 59' ' ' GLU . 6.0 mm-40 -37.79 -45.08 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.874 ' HB3' HD12 ' A' ' 68' ' ' ILE . 16.3 m-85 -61.99 -41.82 98.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.7 p -80.02 -7.75 59.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -98.23 148.01 24.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.726 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -60.15 162.35 10.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.56 0.695 . . . . 0.0 111.057 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.726 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 54.0 Cg_endo -69.7 -19.4 11.18 Favored 'Cis proline' 0 C--O 1.231 0.138 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.382 -0.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.454 ' O ' ' C ' ' A' ' 67' ' ' THR . 1.3 m-85 -56.72 -44.08 81.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 66' ' ' TYR . 14.7 t 33.24 38.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.874 HD12 ' HB3' ' A' ' 61' ' ' PHE . 95.9 mt -45.18 98.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.087 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -85.03 -12.09 53.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -98.32 86.88 3.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 72' ' ' SER . 62.0 m -38.45 -52.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 71' ' ' SER . 1.3 t -36.65 -44.49 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.897 ' NE2' HD11 ' A' ' 77' ' ' ILE . 12.4 t-160 -58.7 -52.95 63.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.406 ' HG3' HG21 ' A' ' 68' ' ' ILE . 9.3 mtm105 -56.32 -39.87 73.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -40.67 83.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.566 HG12 HD13 ' A' ' 32' ' ' LEU . 80.5 t -69.05 -48.6 68.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.897 HD11 ' NE2' ' A' ' 73' ' ' HIS . 93.6 mt -60.7 -66.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.6 mt -48.48 -61.57 1.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.8 m -43.65 -65.7 0.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -48.54 -44.25 36.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.595 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 3.3 mt -61.18 -31.73 71.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.82 -21.77 66.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -91.15 -59.34 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.526 HG22 ' HA ' ' A' ' 81' ' ' LEU . 18.8 m -47.62 -39.03 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.435 ' CG ' ' N ' ' A' ' 86' ' ' SER . 5.0 ptm180 -73.79 -44.12 56.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.435 ' N ' ' CG ' ' A' ' 85' ' ' ARG . 3.5 t -43.61 151.61 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.95 81.22 0.24 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -178.89 2.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.238 . . . . 0.0 112.358 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.3 t -124.04 154.25 40.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.0 m -39.09 117.43 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.53 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -109.6 -48.82 3.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t 58.06 42.77 21.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.93 87.33 1.81 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -85.45 -48.34 9.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 m -123.72 89.62 3.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.94 -95.05 0.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.445 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 62.48 29.1 17.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -40.32 109.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.52 -50.28 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.772 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -71.45 -1.22 12.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.888 0.375 . . . . 0.0 110.969 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.549 HD22 ' CH2' ' A' ' 20' ' ' TRP . 17.3 mt -61.77 -55.95 24.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.9 m -62.87 -28.01 44.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -69.91 -59.44 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -74.71 122.19 22.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.31 137.38 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.63 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 55.8 t -65.28 -33.38 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.497 ' OD1' ' CG ' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -69.29 -1.02 7.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -110.76 -1.49 16.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.63 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 41.0 m0 -68.66 174.54 4.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 25' ' ' VAL . 20.7 p -125.55 161.15 27.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.474 ' CG2' ' HA ' ' A' ' 47' ' ' ARG . 1.6 m -40.97 -26.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' THR . 10.9 tt0 -78.82 -63.51 1.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -50.02 -47.23 53.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.478 HG13 HD22 ' A' ' 53' ' ' LEU . 85.6 t -44.67 -48.43 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.662 HG21 ' CD2' ' A' ' 44' ' ' LEU . 97.5 t -71.92 -35.11 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' A' ' 27' ' ' LEU . 11.6 mt -60.26 -51.94 67.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.601 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 25.2 t90 -56.51 -41.31 76.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.537 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 10.0 tp -73.2 -26.68 61.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -76.58 6.71 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.431 HE22 ' CD1' ' A' ' 12' ' ' LEU . 38.5 mt-30 -109.79 -29.79 8.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.645 HD13 HG12 ' A' ' 76' ' ' VAL . 5.7 mt -61.92 -27.36 68.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.01 165.13 31.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -25.28 28.74 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.27 . . . . 0.0 112.347 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.562 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.9 p-90 -67.31 -16.85 64.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.537 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -56.18 -31.04 63.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.8 t -68.26 -10.41 54.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.9 mt -86.71 -14.87 41.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.402 ' O ' ' N ' ' A' ' 42' ' ' ARG . 36.5 m-85 -116.95 -24.11 7.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 11.6 ptt85 -39.27 -45.73 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.425 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 7.6 t0 -51.23 -42.03 60.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 39' ' ' TYR . 71.1 mtt-85 -65.94 -29.94 70.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.472 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 7.6 m-85 -72.85 -48.21 39.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.662 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.1 mm? -66.49 -54.52 23.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -51.55 -45.87 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -87.28 8.94 21.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.474 ' HA ' ' CG2' ' A' ' 22' ' ' THR . 0.0 OUTLIER 39.43 45.73 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.582 ' HA ' HD23 ' A' ' 52' ' ' LEU . 43.5 t -67.14 95.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -78.49 157.18 28.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.421 ' N ' ' CG2' ' A' ' 25' ' ' VAL . . . -38.59 -58.55 1.74 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.471 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.497 ' CG ' ' OD1' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -45.44 -53.21 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.332 . . . . 0.0 110.84 -179.812 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.582 HD23 ' HA ' ' A' ' 48' ' ' VAL . 23.6 tp -58.07 -38.0 75.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.503 ' HA ' HD12 ' A' ' 56' ' ' LEU . 42.3 tp -59.45 -38.08 79.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.467 HD12 ' HB2' ' A' ' 18' ' ' ASP . 45.9 mt -65.88 -53.28 41.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.1 p -54.44 -41.35 69.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 53' ' ' LEU . 72.1 mt -51.61 140.19 19.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 58' ' ' GLU . 37.3 p -127.38 166.06 18.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' THR . 17.6 tt0 -35.8 -37.02 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -66.41 -73.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 59' ' ' GLU . 48.4 mm-40 -36.44 -41.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.609 ' CD2' HD21 ' A' ' 78' ' ' LEU . 35.0 m-85 -61.59 -46.28 90.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.9 p -77.6 -6.45 53.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -99.41 148.72 23.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.673 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -59.23 160.85 11.09 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.603 0.716 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.673 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.2 Cg_endo -69.78 -23.76 8.92 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.343 -0.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.508 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.4 m-85 -52.4 -42.91 64.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.773 ' O ' HG23 ' A' ' 67' ' ' THR . 1.7 t 30.08 38.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.179 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 66' ' ' TYR . 37.4 mt -48.03 94.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -83.14 40.26 0.69 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -147.63 106.25 3.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 74' ' ' ARG . 32.1 m -54.84 -63.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.603 ' O ' HG23 ' A' ' 76' ' ' VAL . 34.9 m -34.6 -41.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.704 ' CE1' HD11 ' A' ' 77' ' ' ILE . 53.9 t-80 -61.23 -50.6 72.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' SER . 9.7 mtm105 -61.67 -42.55 99.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.423 ' C ' ' HD3' ' A' ' 75' ' ' ARG . 4.2 tmt_? -55.71 -41.12 73.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.645 HG12 HD13 ' A' ' 32' ' ' LEU . 85.4 t -66.24 -49.2 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.704 HD11 ' CE1' ' A' ' 73' ' ' HIS . 91.8 mt -62.25 -62.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.609 HD21 ' CD2' ' A' ' 61' ' ' PHE . 4.4 mm? -50.8 -61.31 2.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.9 m -45.2 -67.5 0.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.171 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -46.55 -51.06 16.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.601 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 4.8 mt -53.52 -40.69 65.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -61.53 -25.0 67.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -84.01 -62.02 1.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 85' ' ' ARG . 17.0 m -45.3 -46.09 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.469 ' N ' HG23 ' A' ' 84' ' ' VAL . 10.1 ptm180 -67.19 -43.68 81.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.414 ' N ' ' CG ' ' A' ' 85' ' ' ARG . 46.9 t -69.02 105.65 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.85 145.69 22.76 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -19.49 36.12 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.712 2.274 . . . . 0.0 112.343 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.0 m -43.66 165.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 93.5 p -68.07 128.62 37.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -110.77 94.1 4.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.927 0.394 . . . . 0.0 110.85 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -87.16 93.33 9.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.9 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.38 -46.49 2.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.447 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 m -128.87 147.38 50.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 110.88 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 m -83.77 126.09 32.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.47 138.58 4.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -170.52 149.65 3.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.891 0.377 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -101.74 104.09 14.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.61 -39.67 0.89 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.794 HD22 ' C ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -67.35 -12.48 60.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.936 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.528 ' N ' HD22 ' A' ' 11' ' ' LEU . 18.6 mt -49.77 -59.85 3.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.6 m -55.81 -32.1 31.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -65.86 -48.06 72.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -87.93 142.93 27.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.588 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -56.64 147.09 23.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.689 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 83.2 t -76.66 -32.25 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.481 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -69.56 -1.35 8.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -114.65 -3.05 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.689 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 45.3 m0 -63.85 170.76 3.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.1 p -120.72 159.34 25.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.5 m -41.11 -28.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -77.72 -59.79 2.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -53.75 -42.48 68.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 1.028 HG13 HD12 ' A' ' 53' ' ' LEU . 43.2 t -49.03 -48.79 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.672 HG21 ' CD2' ' A' ' 44' ' ' LEU . 94.3 t -70.01 -36.37 68.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 27' ' ' LEU . 11.4 mt -58.34 -51.64 68.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.592 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 31.9 t90 -57.26 -43.23 82.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.498 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 11.0 tp -73.17 -28.03 61.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.464 ' HG3' HG12 ' A' ' 26' ' ' VAL . 15.4 mt-10 -77.27 8.2 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -112.42 -27.52 8.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.497 HD13 HG12 ' A' ' 76' ' ' VAL . 6.9 mt -64.08 -29.39 70.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.83 165.4 32.74 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -22.8 31.65 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.648 2.232 . . . . 0.0 112.372 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.565 ' CD2' ' CD2' ' A' ' 73' ' ' HIS . 17.5 p-90 -66.78 -17.09 64.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.498 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -57.09 -33.37 67.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.9 t -65.35 -8.92 20.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.5 mt -86.75 -16.24 36.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 40' ' ' ARG . 56.4 m-85 -117.8 -30.41 5.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 10.9 ptm180 -34.62 -50.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.479 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 15.3 m-20 -46.94 -47.08 21.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 39' ' ' TYR . 18.8 mtt-85 -64.19 -38.41 90.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.445 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 57.0 m-85 -62.01 -44.31 96.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.672 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.0 mm? -70.63 -56.05 7.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -51.88 -47.96 64.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.47 ' HB2' HG23 ' A' ' 48' ' ' VAL . 70.2 mm-40 -79.49 6.51 10.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.5 mmm-85 44.51 36.12 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.644 ' HA ' HD23 ' A' ' 52' ' ' LEU . 88.1 t -66.37 98.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.526 ' C ' HG21 ' A' ' 25' ' ' VAL . 24.1 p30 -88.14 172.4 9.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.467 ' N ' ' CG2' ' A' ' 25' ' ' VAL . . . -49.4 -60.35 6.36 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.558 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.33 -48.55 5.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.644 HD23 ' HA ' ' A' ' 48' ' ' VAL . 54.5 tp -71.29 -31.74 67.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.028 HD12 HG13 ' A' ' 25' ' ' VAL . 2.1 tt -65.08 -35.74 82.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 30.5 mt -68.68 -52.85 26.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 50.9 p -55.68 -46.1 77.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 53' ' ' LEU . 34.8 mt -42.24 145.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' GLU . 74.3 p -130.37 162.21 29.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' THR . 23.4 tt0 -34.45 -58.17 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.1 tt0 -43.38 -64.49 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -45.87 -42.51 12.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.623 ' HB3' HD12 ' A' ' 68' ' ' ILE . 10.3 m-85 -65.56 -28.08 68.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 59' ' ' GLU . 30.7 t -84.92 -6.11 59.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -106.45 148.2 28.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.788 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -59.67 164.81 5.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.597 0.713 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.788 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 54.2 Cg_endo -69.7 -16.8 12.05 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.391 -0.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 68' ' ' ILE . 0.6 OUTLIER -61.04 -44.37 97.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.952 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.772 ' O ' HG23 ' A' ' 67' ' ' THR . 2.4 t 29.31 40.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.165 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.623 HD12 ' HB3' ' A' ' 61' ' ' PHE . 56.3 mt -42.08 93.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' THR . 20.5 mt-10 -82.98 37.33 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -150.5 105.75 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.1 t -55.24 -48.6 73.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.555 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.7 t -40.47 -52.56 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.837 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.565 ' CD2' ' CD2' ' A' ' 35' ' ' TRP . 36.1 m170 -55.68 -56.7 17.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 46.9 mtm-85 -49.73 -40.76 41.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -65.19 -41.99 94.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 72' ' ' SER . 59.3 t -67.38 -46.5 83.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.508 ' O ' HD12 ' A' ' 81' ' ' LEU . 85.1 mt -65.42 -49.12 80.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.6 mt -66.05 -52.36 49.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.9 m -54.54 -55.35 30.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.417 ' OE2' HD22 ' A' ' 32' ' ' LEU . 5.5 mm-40 -55.95 -43.52 77.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.685 HD11 ' CD2' ' A' ' 53' ' ' LEU . 1.3 mt -60.78 -35.95 77.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -62.72 -23.24 67.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.0 mtt180 -88.07 -59.76 2.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' ' 81' ' ' LEU . 13.2 m -44.56 -42.32 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -66.74 -37.33 84.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.6 t -47.08 -49.69 21.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 126.46 -164.5 20.01 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 112.47 3.08 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.0 m -94.43 105.99 17.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.9 m -88.89 138.0 31.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -117.01 95.95 5.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.873 0.368 . . . . 0.0 110.851 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m -111.09 103.39 11.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.98 -145.8 9.99 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.7 m -67.4 160.77 26.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.845 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.8 m -128.89 136.98 51.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.39 146.31 8.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.525 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -77.33 125.81 29.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -101.87 96.48 7.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.13 -59.99 0.28 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.837 HD13 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -50.14 -18.03 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.837 ' N ' HD13 ' A' ' 11' ' ' LEU . 18.8 mt -43.24 -59.83 1.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.4 m -59.21 -39.03 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -60.27 -68.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.8 tttt -66.64 119.86 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.455 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -42.3 148.32 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.55 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 92.1 t -73.17 -32.29 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.42 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 3.3 p-10 -66.64 -3.57 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -112.73 0.88 15.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.55 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 43.7 m0 -69.49 164.49 23.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 23' ' ' GLU . 21.7 p -116.6 158.04 24.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.466 HG22 HD13 ' A' ' 44' ' ' LEU . 1.3 m -38.75 -26.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 21' ' ' THR . 7.0 tt0 -79.4 -62.89 1.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -54.11 -39.39 66.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 1.015 HG13 HD12 ' A' ' 53' ' ' LEU . 54.3 t -53.75 -48.48 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.848 HG21 ' CD2' ' A' ' 44' ' ' LEU . 97.3 t -72.43 -31.71 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.8 mt -63.6 -53.28 54.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 18.6 t90 -57.16 -39.67 75.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.572 HD22 ' CZ ' ' A' ' 43' ' ' PHE . 8.5 tp -75.11 -24.85 58.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -79.81 12.28 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -116.34 -28.45 6.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.501 HD13 HG12 ' A' ' 76' ' ' VAL . 4.5 mt -61.08 -27.55 68.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.93 165.42 32.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.533 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -25.63 28.52 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.698 2.266 . . . . 0.0 112.359 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.544 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 11.1 p-90 -66.17 -17.49 64.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.479 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -53.91 -38.71 65.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.7 t -62.3 -9.94 9.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.3 mt -88.98 -12.65 40.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -117.57 -25.6 6.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.441 ' O ' HD23 ' A' ' 44' ' ' LEU . 11.8 ptt85 -40.18 -45.64 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 4.2 m-20 -51.16 -44.44 61.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 -67.83 -29.39 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.572 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 7.2 m-85 -72.89 -49.21 31.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.848 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.7 mm? -66.11 -54.38 26.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -51.38 -48.59 62.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -81.01 10.34 5.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.7 mmt85 44.53 34.29 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.994 HG13 HD12 ' A' ' 52' ' ' LEU . 59.0 t -55.87 101.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' GLY . 7.2 p30 -92.98 159.03 15.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.512 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -36.48 -63.82 0.66 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.566 ' O ' HG23 ' A' ' 55' ' ' THR . 3.7 tmt_? -44.2 -45.83 8.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 0.0 110.854 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.994 HD12 HG13 ' A' ' 48' ' ' VAL . 3.2 tm? -64.79 -49.17 71.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.015 HD12 HG13 ' A' ' 25' ' ' VAL . 2.1 tt -51.89 -38.72 57.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.42 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 17.3 mt -67.68 -54.46 19.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 51' ' ' ARG . 45.6 p -50.13 -30.32 10.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 53' ' ' LEU . 75.3 mt -63.11 132.89 53.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.1 p -116.71 168.28 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.471 ' HB2' HD21 ' A' ' 78' ' ' LEU . 26.6 tt0 -48.19 -19.62 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.9 -60.82 1.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -51.83 -28.65 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.95 ' HB3' HD12 ' A' ' 68' ' ' ILE . 27.1 m-85 -69.39 -27.19 65.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.9 t -88.0 2.7 51.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -101.4 147.15 26.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.546 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -61.19 154.77 60.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.557 0.694 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.9 Cg_endo -69.77 -31.09 4.77 Favored 'Cis proline' 0 C--O 1.231 0.166 0 C-N-CA 122.644 -1.815 . . . . 0.0 112.341 0.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.8 m-85 -39.62 -47.25 1.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 65' ' ' PRO . 12.7 t 33.31 34.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.95 HD12 ' HB3' ' A' ' 61' ' ' PHE . 78.2 mt -50.26 87.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 67' ' ' THR . 10.3 mt-10 -78.77 -24.98 44.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -87.19 92.46 9.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 72' ' ' SER . 23.2 t -38.5 -44.92 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.6 ' O ' HG23 ' A' ' 76' ' ' VAL . 22.9 t -34.93 -48.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.891 ' NE2' HD11 ' A' ' 77' ' ' ILE . 9.5 t-160 -55.64 -57.55 11.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -51.92 -48.31 64.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -53.42 -45.44 69.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 72' ' ' SER . 45.1 t -68.79 -59.63 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.891 HD11 ' NE2' ' A' ' 73' ' ' HIS . 60.7 mt -49.01 -64.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.471 HD21 ' HB2' ' A' ' 58' ' ' GLU . 11.1 mp -49.45 -70.94 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' LEU . 94.6 m -36.13 -62.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.439 ' O ' HG22 ' A' ' 84' ' ' VAL . 23.9 mm-40 -54.97 -38.42 67.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.48 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 7.5 tp -64.17 -41.7 97.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -56.87 -30.87 64.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -78.61 -64.93 1.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.48 ' CG2' ' HA ' ' A' ' 81' ' ' LEU . 4.1 m -43.29 -44.91 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' A' ' 86' ' ' SER . 10.6 ptm180 -66.51 -36.42 82.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.462 ' N ' ' HG3' ' A' ' 85' ' ' ARG . 7.1 t -65.28 -60.95 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.62 -177.39 19.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 1.83 4.07 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.677 2.251 . . . . 0.0 112.338 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.1 t -46.21 144.81 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 91.0 p -104.58 144.27 31.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 m -89.78 104.27 16.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.922 0.391 . . . . 0.0 110.878 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t -84.05 150.44 25.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 179.78 78.03 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.53 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 4' ' ' GLY . 25.9 p 38.13 42.85 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.347 . . . . 0.0 110.86 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -99.64 150.45 22.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.9 49.08 0.18 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.465 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.491 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 70.4 mm-40 -122.95 110.73 15.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.907 0.384 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -66.35 96.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.59 -58.16 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.495 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.828 HD22 ' C ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -62.19 -10.8 11.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.899 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.716 HD12 ' CH2' ' A' ' 20' ' ' TRP . 4.3 mm? -57.68 -56.56 20.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 84' ' ' VAL . 5.3 m -68.49 -16.44 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -85.88 -27.88 24.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -107.61 123.63 48.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.59 135.78 6.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.655 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 87.7 t -63.61 -33.39 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.436 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -64.76 -5.39 5.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.436 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 3.8 mptp? -113.34 1.29 15.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.716 ' CH2' HD12 ' A' ' 12' ' ' LEU . 44.6 m0 -67.76 160.94 27.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.6 p -108.97 156.94 19.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.4 m -40.17 -29.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.173 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -77.78 -59.13 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -51.95 -41.85 62.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 1.037 HG13 HD12 ' A' ' 53' ' ' LEU . 35.8 t -51.75 -48.49 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.489 HG21 ' CD1' ' A' ' 44' ' ' LEU . 61.3 t -70.91 -37.27 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.0 mt -59.37 -50.56 73.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.402 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . 29.9 t90 -59.33 -41.92 90.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.691 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 12.4 tp -73.55 -28.49 61.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -77.83 6.73 6.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' A' ' 28' ' ' TRP . 42.7 mt-30 -109.89 -25.81 10.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mt -66.2 -28.52 68.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.2 165.5 32.06 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -23.32 30.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.711 2.274 . . . . 0.0 112.324 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.42 ' CD2' ' CD2' ' A' ' 73' ' ' HIS . 20.7 p-90 -67.3 -17.0 64.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.691 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -59.06 -26.99 65.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.428 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 8.3 t -70.42 -10.25 58.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.1 mt -85.41 -11.47 54.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 40' ' ' ARG . 60.5 m-85 -124.17 -31.58 3.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.488 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 6.4 ptm180 -36.3 -51.62 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.488 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 10.7 m-20 -46.26 -44.44 16.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 39' ' ' TYR . 15.1 mtp85 -60.94 -37.91 84.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.427 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 58.4 m-85 -62.13 -57.94 9.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.489 ' CD1' HG21 ' A' ' 26' ' ' VAL . 1.1 mm? -55.24 -59.04 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 t -49.5 -53.47 23.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -78.24 4.24 13.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.8 mmm-85 44.86 43.32 6.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.596 ' HA ' HD23 ' A' ' 52' ' ' LEU . 89.3 t -74.03 92.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.534 ' C ' HG21 ' A' ' 25' ' ' VAL . 17.9 p-10 -77.6 174.94 10.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.479 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -52.42 -57.55 13.36 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -43.2 -37.62 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 0.0 110.869 -179.826 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.596 HD23 ' HA ' ' A' ' 48' ' ' VAL . 53.2 tp -81.73 -36.73 28.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.037 HD12 HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -60.47 -32.65 71.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.3 mt -72.39 -50.28 27.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 51' ' ' ARG . 29.5 p -54.47 -37.93 65.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 53' ' ' LEU . 47.3 mt -56.12 132.87 51.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 58' ' ' GLU . 65.2 p -112.82 161.98 16.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.195 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 57' ' ' THR . 18.1 tt0 -34.66 -44.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 62' ' ' SER . 0.4 OUTLIER -60.48 -71.04 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' GLU . 24.7 mm-40 -37.54 -40.46 0.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.738 ' HB3' HD12 ' A' ' 68' ' ' ILE . 50.9 m-85 -61.59 -42.42 98.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 59' ' ' GLU . 11.8 t -85.26 0.93 50.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -108.28 145.66 34.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.557 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -51.1 151.2 4.93 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.596 0.712 . . . . 0.0 111.094 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 54.2 Cg_endo -69.73 -42.81 0.69 Allowed 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.351 -0.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.498 ' O ' ' N ' ' A' ' 68' ' ' ILE . 2.4 m-85 -37.7 -43.15 0.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.779 ' O ' HG23 ' A' ' 67' ' ' THR . 1.8 t 30.66 37.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.131 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.738 HD12 ' HB3' ' A' ' 61' ' ' PHE . 68.5 mt -45.9 92.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 67' ' ' THR . 17.9 mt-10 -84.86 40.65 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.429 ' HB3' ' ND1' ' A' ' 73' ' ' HIS . 0.8 OUTLIER -148.45 107.73 3.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 72' ' ' SER . 59.7 m -56.07 -60.48 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.458 ' O ' HG23 ' A' ' 76' ' ' VAL . 22.5 m -34.29 -45.5 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.843 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.429 ' ND1' ' HB3' ' A' ' 70' ' ' ASN . 45.8 m170 -59.92 -56.08 26.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 62' ' ' SER . 54.7 mtm-85 -52.43 -44.87 65.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.4 ' O ' ' HD2' ' A' ' 75' ' ' ARG . 0.6 OUTLIER -54.96 -57.8 10.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 72' ' ' SER . 51.7 t -54.8 -56.21 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.499 HG22 ' N ' ' A' ' 78' ' ' LEU . 52.0 mt -51.23 -73.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.499 ' N ' HG22 ' A' ' 77' ' ' ILE . 3.6 mm? -41.69 -61.67 1.04 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.5 m -44.86 -62.17 1.32 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -50.19 -41.7 49.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.485 ' HA ' HG22 ' A' ' 84' ' ' VAL . 5.2 tp -61.78 -40.38 94.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -60.15 -17.48 40.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 30.0 mtt-85 -93.33 -58.25 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.485 HG22 ' HA ' ' A' ' 81' ' ' LEU . 6.8 m -53.55 -38.85 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.438 ' CG ' ' N ' ' A' ' 86' ' ' SER . 9.8 ptm180 -75.03 -46.0 37.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.438 ' N ' ' CG ' ' A' ' 85' ' ' ARG . 12.5 t -66.15 176.97 1.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.416 ' N ' ' OG ' ' A' ' 86' ' ' SER . . . -88.29 -163.88 39.7 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.51 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 170.03 17.51 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.338 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.8 m -140.9 111.7 7.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 t -44.71 128.35 6.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.507 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.0 p -63.73 -20.37 65.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 0.0 110.852 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 p -75.46 120.85 21.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.51 174.3 0.49 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -163.68 169.89 17.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.881 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 m -136.42 166.26 23.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.03 131.47 2.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -125.89 134.27 51.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.555 ' CD2' ' OE1' ' A' ' 31' ' ' GLN . 10.6 t-160 -113.72 87.87 2.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.59 -49.73 0.22 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.715 HD22 ' C ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -70.28 -3.69 18.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.914 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.483 ' N ' HD13 ' A' ' 11' ' ' LEU . 44.9 mt -72.61 -60.35 2.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 14' ' ' HIS . 20.8 m -55.34 -43.67 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.444 ' N ' HG23 ' A' ' 13' ' ' VAL . 8.2 t-80 -57.12 -44.27 83.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -88.13 141.03 28.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.65 136.54 56.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.55 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 87.1 t -62.69 -32.06 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.74 -3.86 7.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -115.21 6.71 15.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.55 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 41.0 m0 -77.17 168.59 19.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' GLU . 13.0 p -121.05 156.76 31.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 m -38.16 -28.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' THR . 14.0 tt0 -76.6 -57.68 3.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.55 -40.38 82.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.832 HG13 HD12 ' A' ' 53' ' ' LEU . 84.7 t -50.98 -48.22 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.636 HG21 ' CD2' ' A' ' 44' ' ' LEU . 97.6 t -70.93 -33.33 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.8 mt -61.53 -53.23 59.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.421 ' CH2' HG23 ' A' ' 77' ' ' ILE . 24.8 t90 -56.39 -40.34 74.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.51 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 8.8 tp -74.86 -26.65 59.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.95 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -77.77 8.99 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.555 ' OE1' ' CD2' ' A' ' 9' ' ' HIS . 37.5 mt-30 -111.85 -28.48 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.591 HD13 HG12 ' A' ' 76' ' ' VAL . 5.0 mt -63.08 -27.1 69.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.74 164.72 30.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -23.33 31.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.619 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.6 p-90 -68.97 -15.89 63.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.977 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.51 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -56.48 -38.93 72.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.106 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.7 t -61.18 -13.68 19.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.2 mt -85.44 -10.44 56.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -118.31 -25.85 6.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.408 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 12.0 ptt180 -39.61 -42.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.833 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -47.84 -43.71 28.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.547 HH22 HD11 ' A' ' 68' ' ' ILE . 15.8 mtm180 -63.03 -46.85 85.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' A' ' 29' ' ' LEU . 51.7 m-85 -58.71 -51.25 70.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.636 ' CD2' HG21 ' A' ' 26' ' ' VAL . 2.7 mm? -63.7 -56.76 13.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -53.06 -49.95 65.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -84.98 7.41 21.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 40.99 42.52 1.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.61 ' HA ' HD23 ' A' ' 52' ' ' LEU . 92.4 t -65.68 90.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -72.1 169.36 16.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.91 -53.96 27.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.49 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -48.31 -45.21 34.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.361 . . . . 0.0 110.847 -179.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.61 HD23 ' HA ' ' A' ' 48' ' ' VAL . 57.6 tp -70.46 -33.22 71.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.832 HD12 HG13 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -64.14 -43.68 94.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.8 mt -61.4 -54.11 47.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 51' ' ' ARG . 42.3 p -49.5 -43.26 45.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' A' ' 53' ' ' LEU . 39.9 mt -50.15 147.83 3.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' GLU . 62.0 p -131.04 164.91 24.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -42.92 -23.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -82.18 -59.32 2.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 8.0 mm-40 -53.02 -29.92 32.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.842 ' HB3' HD12 ' A' ' 68' ' ' ILE . 42.1 m-85 -69.26 -32.25 71.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.02 10.73 20.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -111.34 151.2 28.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.547 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -61.77 154.34 67.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.561 0.696 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.3 Cg_endo -69.78 -30.48 5.12 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.369 0.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 68' ' ' ILE . 2.7 m-85 -40.07 -45.69 2.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 65' ' ' PRO . 13.3 t 33.67 34.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.842 HD12 ' HB3' ' A' ' 61' ' ' PHE . 98.1 mt -46.45 92.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' THR . 13.9 mt-10 -85.77 26.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.462 ' ND2' ' HB2' ' A' ' 72' ' ' SER . 10.4 t30 -140.52 105.08 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 72' ' ' SER . 47.8 m -50.28 -53.33 29.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.655 ' O ' HG23 ' A' ' 76' ' ' VAL . 39.0 m -34.55 -51.73 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.9 ' CE1' HD11 ' A' ' 77' ' ' ILE . 23.2 t-80 -51.39 -53.27 38.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 86.4 mtm-85 -60.44 -51.21 70.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.411 ' C ' ' HD3' ' A' ' 75' ' ' ARG . 3.9 tmt_? -49.21 -40.09 32.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 72' ' ' SER . 55.0 t -71.07 -68.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.9 HD11 ' CE1' ' A' ' 73' ' ' HIS . 81.4 mt -43.57 -59.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.665 HD11 ' CD2' ' A' ' 61' ' ' PHE . 9.1 mp -52.79 -69.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.0 m -38.37 -52.85 1.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -63.99 -36.62 84.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 78' ' ' LEU . 8.3 tp -61.72 -45.89 91.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -53.65 -36.03 61.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.0 mtp85 -71.45 -65.15 0.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.81 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 85' ' ' ARG . 12.3 m -43.94 -46.38 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 86' ' ' SER . 8.1 ptm180 -66.2 -35.37 80.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.458 ' N ' ' HG3' ' A' ' 85' ' ' ARG . 39.6 t -66.64 139.46 57.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.9 133.68 27.37 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.452 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 152.13 69.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -118.67 163.29 17.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.2 t -86.79 -62.53 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m -129.58 92.47 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.843 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -167.24 140.01 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.67 151.57 23.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -123.71 -57.39 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.9 m -84.59 102.55 12.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.69 42.49 1.37 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.433 ' O ' HD12 ' A' ' 11' ' ' LEU . 18.3 mt-10 -128.42 150.08 50.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.93 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 9' ' ' HIS . 0.5 OUTLIER -81.49 106.99 13.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.425 ' O ' HG22 ' A' ' 13' ' ' VAL . . . 154.46 -50.19 0.48 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.461 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.914 HD13 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -54.04 -21.15 7.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.955 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.914 ' N ' HD13 ' A' ' 11' ' ' LEU . 20.9 mt -40.81 -58.2 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.537 HG23 ' N ' ' A' ' 14' ' ' HIS . 33.1 m -57.75 -46.15 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.537 ' N ' HG23 ' A' ' 13' ' ' VAL . 17.8 m-70 -51.99 -47.22 65.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -87.05 128.37 35.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.505 ' HB1' ' OD1' ' A' ' 18' ' ' ASP . . . -49.2 135.21 17.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.794 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 60.2 t -67.58 -28.66 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.505 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 3.2 p-10 -69.77 -1.52 9.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -115.16 -2.27 12.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.794 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 43.8 m0 -63.07 165.14 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 23' ' ' GLU . 19.7 p -119.18 155.37 31.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.427 HG22 HD13 ' A' ' 44' ' ' LEU . 7.2 m -37.04 -30.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 21' ' ' THR . 18.5 tt0 -75.85 -57.76 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -58.48 -40.08 81.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.559 HG13 HD22 ' A' ' 53' ' ' LEU . 41.9 t -52.06 -50.77 33.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.77 HG21 ' CD2' ' A' ' 44' ' ' LEU . 88.6 t -69.77 -34.19 59.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.5 mt -60.48 -51.49 69.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.591 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 21.9 t90 -56.18 -40.23 73.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.498 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 8.3 tp -73.23 -24.95 60.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -78.43 8.64 4.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.431 HE22 HD11 ' A' ' 12' ' ' LEU . 41.0 mt-30 -112.35 -24.23 9.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.575 HD13 HG12 ' A' ' 76' ' ' VAL . 5.0 mt -68.11 -28.12 67.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.17 162.88 28.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -18.56 37.02 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.332 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.642 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.0 p-90 -73.74 -13.16 60.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.498 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -56.92 -39.57 74.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.0 t -62.45 -10.29 11.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.2 mt -85.81 -13.63 47.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.449 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 13.5 m-85 -120.9 -27.77 4.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.442 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 7.3 ptm180 -39.52 -33.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.31 -45.39 80.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.426 ' NH1' ' HA ' ' A' ' 66' ' ' TYR . 14.4 mtm105 -66.87 -29.72 69.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -71.35 -51.88 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.77 ' CD2' HG21 ' A' ' 26' ' ' VAL . 2.9 mm? -62.88 -55.83 22.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -50.51 -48.83 56.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 47' ' ' ARG . 78.6 mm-40 -81.84 15.55 2.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 46' ' ' GLU . 29.1 mmm-85 34.99 43.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.71 ' HA ' HD23 ' A' ' 52' ' ' LEU . 61.1 t -68.34 106.13 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.432 ' C ' HG21 ' A' ' 25' ' ' VAL . 16.3 p-10 -93.23 170.97 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -50.71 -59.88 7.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.516 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.646 ' O ' HG23 ' A' ' 55' ' ' THR . 0.7 OUTLIER -44.38 -35.3 2.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.85 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.71 HD23 ' HA ' ' A' ' 48' ' ' VAL . 46.1 tp -81.13 -33.52 33.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.559 HD22 HG13 ' A' ' 25' ' ' VAL . 45.9 tp -63.94 -46.99 82.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 33.7 mt -58.27 -48.36 80.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 51' ' ' ARG . 41.6 p -55.45 -46.35 76.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 53' ' ' LEU . 65.4 mt -49.96 147.54 3.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.41 ' C ' ' N ' ' A' ' 59' ' ' GLU . 46.3 p -130.38 169.12 15.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -45.3 -21.43 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 57' ' ' THR . 0.5 OUTLIER -87.07 -63.51 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -42.35 -41.79 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.532 ' CD2' HD21 ' A' ' 78' ' ' LEU . 56.3 m-85 -60.54 -39.3 87.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.3 p -79.94 11.36 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.42 ' C ' ' H ' ' A' ' 67' ' ' THR . 7.3 mmm180 -115.12 148.14 39.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.538 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -58.83 154.68 35.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.568 0.699 . . . . 0.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.5 Cg_endo -69.78 -29.06 5.92 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.369 0.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.5 m-85 -42.55 -49.62 5.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 65' ' ' PRO . 13.7 t 33.18 36.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.54 HD13 ' ND1' ' A' ' 73' ' ' HIS . 18.5 mt -46.67 91.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' THR . 15.4 mt-10 -80.28 43.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -155.57 105.32 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 74' ' ' ARG . 62.6 m -56.12 -57.94 10.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.469 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.4 m -37.1 -40.91 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.642 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 55.6 t-80 -63.8 -42.79 97.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 71' ' ' SER . 37.1 mtm180 -67.87 -41.2 83.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -43.98 82.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.575 HG12 HD13 ' A' ' 32' ' ' LEU . 96.3 t -65.46 -42.8 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.514 HD11 ' CE1' ' A' ' 73' ' ' HIS . 56.3 mt -68.26 -62.82 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.532 HD21 ' CD2' ' A' ' 61' ' ' PHE . 3.9 mm? -50.93 -60.44 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.7 m -46.09 -59.64 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -54.75 -40.84 69.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.591 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 4.4 mt -65.81 -32.61 74.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -64.27 -26.02 68.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 52.4 mtt-85 -86.54 -58.26 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.572 HG22 ' HA ' ' A' ' 81' ' ' LEU . 28.6 m -47.18 -40.11 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 86' ' ' SER . 7.6 ptm180 -78.18 -43.43 28.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.421 ' N ' ' CG ' ' A' ' 85' ' ' ARG . 9.2 t -136.53 108.95 7.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 156.64 82.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.551 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 84.96 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.358 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.3 p -83.45 166.89 17.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 90.6 p -143.66 112.25 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.466 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -119.52 -35.26 3.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 110.829 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.1 m 39.86 42.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.2 140.65 16.17 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.5 m 50.27 40.44 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.367 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.1 p -136.62 111.71 8.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.03 131.51 9.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.432 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -147.41 143.75 28.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 24.1 p-80 -115.89 116.37 27.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.41 -47.82 0.98 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.524 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.873 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -61.25 -14.31 25.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.82 ' N ' HD13 ' A' ' 11' ' ' LEU . 4.3 mm? -39.83 -56.03 1.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.525 HG23 ' N ' ' A' ' 14' ' ' HIS . 27.6 m -63.51 -47.36 91.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.525 ' N ' HG23 ' A' ' 13' ' ' VAL . 47.2 m170 -47.49 -36.32 10.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -103.72 126.02 50.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.599 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -46.12 150.88 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.669 HG21 HG23 ' A' ' 84' ' ' VAL . 92.0 t -75.96 -32.18 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.086 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.426 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 2.1 p-10 -70.06 -1.02 8.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -114.43 -2.87 13.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 43.8 m0 -64.86 161.16 18.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' GLU . 22.3 p -110.4 158.11 18.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.151 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.4 m -41.86 -23.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.142 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.7 tt0 -82.03 -55.81 4.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -56.28 -45.69 80.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.545 HG13 HD22 ' A' ' 53' ' ' LEU . 95.1 t -46.37 -47.7 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.704 HG21 ' CD2' ' A' ' 44' ' ' LEU . 61.8 t -71.05 -34.43 55.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.9 mt -62.38 -54.47 39.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.515 ' CZ3' HD21 ' A' ' 53' ' ' LEU . 27.5 t90 -56.83 -40.6 76.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.63 HD22 ' CZ ' ' A' ' 43' ' ' PHE . 10.9 tp -74.77 -27.78 60.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -77.42 6.63 6.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -110.14 -26.56 9.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.534 HD22 ' CD ' ' A' ' 80' ' ' GLU . 5.2 mt -65.01 -28.97 69.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.0 164.59 31.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -22.49 32.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.47 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 19.9 p-90 -68.21 -16.47 63.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.459 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -58.25 -32.57 68.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.073 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -65.15 -12.52 51.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 mt -86.48 -12.75 48.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -118.34 -19.18 9.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.447 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 12.7 ptt85 -47.67 -46.3 29.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.447 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 2.4 t70 -48.27 -42.33 30.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 65' ' ' PRO . 22.6 mtt-85 -69.82 -37.98 76.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.63 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 5.0 m-85 -62.03 -44.33 96.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.704 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.1 mm? -74.1 -55.26 6.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -50.65 -51.7 46.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.442 ' HB2' HG23 ' A' ' 48' ' ' VAL . 11.1 mm-40 -80.41 12.3 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 43.9 35.34 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.826 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.513 HG13 HD23 ' A' ' 52' ' ' LEU . 92.9 t -59.74 102.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.0 p30 -93.66 163.53 13.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.43 ' N ' ' CG2' ' A' ' 25' ' ' VAL . . . -40.87 -62.85 1.61 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.473 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -37.32 -51.6 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 110.862 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.513 HD23 HG13 ' A' ' 48' ' ' VAL . 42.9 tp -66.87 -39.67 87.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.632 ' HA ' HD12 ' A' ' 56' ' ' LEU . 16.6 tp -56.16 -37.94 70.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.449 ' HA ' HD21 ' A' ' 81' ' ' LEU . 48.2 mt -71.69 -50.3 31.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 51' ' ' ARG . 48.8 p -54.66 -44.4 73.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 53' ' ' LEU . 60.4 mt -44.24 142.81 1.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.939 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' GLU . 72.7 p -129.0 167.16 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' THR . 1.2 tm-20 -35.41 -46.02 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 62' ' ' SER . 4.7 mt-10 -62.56 -72.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' GLU . 32.6 mt-10 -35.91 -46.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.762 ' HB3' HD12 ' A' ' 68' ' ' ILE . 10.6 m-85 -61.37 -42.41 98.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 59' ' ' GLU . 29.8 t -79.54 -4.8 53.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -99.08 148.28 24.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.549 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -56.72 153.69 20.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.59 0.709 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.9 Cg_endo -69.74 -40.35 1.12 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.376 -0.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.501 ' O ' ' N ' ' A' ' 68' ' ' ILE . 0.6 OUTLIER -37.09 -45.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 66' ' ' TYR . 10.8 t 35.79 30.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.762 HD12 ' HB3' ' A' ' 61' ' ' PHE . 91.9 mt -41.45 107.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -100.3 -23.75 14.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 71' ' ' SER . 10.2 m-20 -78.78 84.85 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 72' ' ' SER . 15.3 t -34.34 -57.3 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.639 ' O ' HG23 ' A' ' 76' ' ' VAL . 36.3 m -34.59 -45.88 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.86 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -58.76 -55.97 28.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 74' ' ' ARG . 14.2 mtm105 -48.9 -45.33 41.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -44.7 95.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 72' ' ' SER . 58.7 t -63.29 -53.0 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.149 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.4 mt -58.24 -58.81 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.9 mt -54.74 -57.34 11.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.5 m -51.88 -54.54 28.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.534 ' CD ' HD22 ' A' ' 32' ' ' LEU . 9.6 mm-40 -56.66 -43.71 80.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.449 HD21 ' HA ' ' A' ' 54' ' ' LEU . 9.1 tp -59.63 -42.41 92.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -56.04 -21.89 24.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -86.73 -66.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.669 HG23 HG21 ' A' ' 17' ' ' VAL . 20.4 m -47.14 -30.96 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 86' ' ' SER . 8.0 ptm180 -79.07 -39.78 32.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.444 ' N ' ' HG3' ' A' ' 85' ' ' ARG . 1.6 m -78.39 135.53 37.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.29 68.26 0.55 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.486 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -41.85 3.87 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.0 p -113.83 140.4 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 87.9 p -113.91 140.34 48.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.838 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.453 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -160.04 145.4 15.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -64.43 97.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.59 -110.48 0.7 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t 55.76 42.28 29.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.348 . . . . 0.0 110.847 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 t -143.87 127.72 17.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.29 142.93 10.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.466 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -122.12 176.04 6.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.494 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 31.7 p-80 -117.86 103.26 9.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.34 -36.95 0.86 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.474 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.746 HD22 ' C ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -74.65 -4.82 39.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 110.923 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.482 ' N ' HD13 ' A' ' 11' ' ' LEU . 21.4 mt -58.21 -44.74 88.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.7 m -70.66 -16.94 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -81.88 -39.41 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -95.33 126.77 40.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.508 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . -43.49 139.7 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.685 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 68.2 t -71.4 -33.07 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.481 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -70.35 -0.36 8.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.508 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 5.1 mptp? -113.58 -3.92 13.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.685 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 43.0 m0 -64.12 173.16 2.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' GLU . 24.6 p -124.45 155.99 37.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.5 m -39.72 -26.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 21' ' ' THR . 16.7 tt0 -78.66 -52.06 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -63.61 -40.37 96.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.3 t -49.93 -50.35 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.605 HG21 ' CD2' ' A' ' 44' ' ' LEU . 94.4 t -68.9 -32.94 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.407 ' HA ' HD23 ' A' ' 27' ' ' LEU . 11.5 mt -61.69 -51.99 66.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.599 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 25.6 t90 -57.74 -42.12 83.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.634 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 19.7 tp -73.18 -26.43 61.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.947 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -77.12 7.95 4.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.44 HE22 ' CD1' ' A' ' 12' ' ' LEU . 37.3 mt-30 -110.88 -30.02 7.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.671 HD13 HG12 ' A' ' 76' ' ' VAL . 5.7 mt -61.16 -26.63 67.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.04 163.8 28.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -21.04 33.94 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.623 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 12.0 p-90 -71.69 -14.54 62.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.634 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -59.24 -26.8 65.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 t -70.46 -11.6 61.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.2 mt -87.32 -10.89 51.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.505 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 76.0 m-85 -117.62 -27.72 6.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.439 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 13.8 ptt85 -37.54 -47.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.439 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 2.9 t70 -46.5 -44.55 17.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.435 ' CD ' ' HA ' ' A' ' 66' ' ' TYR . 45.3 mtt-85 -67.26 -28.04 67.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.632 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 48.7 m-85 -74.56 -45.12 47.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.605 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.0 mm? -71.74 -54.45 10.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -50.67 -49.55 56.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.41 ' HB2' HG23 ' A' ' 48' ' ' VAL . 80.0 mm-40 -83.34 9.34 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 42.29 39.17 1.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.604 ' HA ' HD23 ' A' ' 52' ' ' LEU . 93.2 t -63.37 96.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -85.87 168.33 14.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.41 -57.77 7.07 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 55' ' ' THR . 1.3 tmt_? -43.85 -42.82 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' A' ' 48' ' ' VAL . 58.5 tp -72.79 -40.42 65.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.647 ' HA ' HD12 ' A' ' 56' ' ' LEU . 33.0 tp -53.93 -41.23 67.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 55.0 mt -67.36 -49.22 64.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 51' ' ' ARG . 43.3 p -58.74 -22.15 57.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 53' ' ' LEU . 55.3 mt -72.42 133.26 44.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.6 p -110.82 169.55 8.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -52.57 -16.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.51 -57.79 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -46.86 -41.77 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.865 ' HB3' HD12 ' A' ' 68' ' ' ILE . 47.2 m-85 -60.01 -32.01 70.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.5 t -87.21 14.75 7.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -114.56 149.08 37.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.551 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -58.95 152.29 50.71 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.581 0.705 . . . . 0.0 111.097 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 54.4 Cg_endo -69.7 -31.62 4.42 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.397 -0.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.469 ' O ' ' N ' ' A' ' 68' ' ' ILE . 2.5 m-85 -38.28 -45.28 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 65' ' ' PRO . 13.3 t 33.29 35.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.865 HD12 ' HB3' ' A' ' 61' ' ' PHE . 53.0 mt -47.23 91.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.174 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 67' ' ' THR . 18.8 mt-10 -85.55 21.48 1.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -132.42 105.13 7.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 74' ' ' ARG . 1.8 m -53.81 -59.88 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.568 ' O ' HG23 ' A' ' 76' ' ' VAL . 52.0 m -36.06 -43.21 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.623 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 57.1 t-80 -61.22 -45.54 94.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.775 ' HG3' HG21 ' A' ' 68' ' ' ILE . 46.4 mtm180 -62.91 -44.72 95.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -46.71 75.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.671 HG12 HD13 ' A' ' 32' ' ' LEU . 60.5 t -59.33 -47.27 91.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.613 HD11 ' CE1' ' A' ' 73' ' ' HIS . 76.5 mt -66.1 -61.59 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.519 HD21 ' CD2' ' A' ' 61' ' ' PHE . 4.5 mm? -52.56 -60.45 3.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 75.5 m -46.1 -61.47 1.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -54.22 -39.37 66.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.599 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 5.2 mt -64.7 -35.65 81.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -64.07 -28.9 70.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -81.9 -55.66 4.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.522 HG22 ' HA ' ' A' ' 81' ' ' LEU . 22.7 m -53.22 -36.9 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -85.73 -175.04 5.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.9 t -65.51 103.22 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.78 71.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.82 104.64 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.731 2.287 . . . . 0.0 112.295 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.6 t 39.79 42.02 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -134.91 155.3 50.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -54.38 132.7 44.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.359 . . . . 0.0 110.884 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 m -158.57 167.23 30.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.829 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.27 -176.94 29.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -126.37 -45.46 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.86 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 t -161.75 140.24 9.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.37 118.56 3.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.476 ' N ' ' CD ' ' A' ' 8' ' ' GLU . 1.1 pm0 -166.49 125.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -127.04 103.9 7.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.813 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.28 -30.14 1.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.774 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -87.26 1.88 51.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.888 0.375 . . . . 0.0 110.949 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.685 HD12 ' CZ2' ' A' ' 20' ' ' TRP . 4.4 mm? -62.52 -61.81 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.1 m -47.42 -32.86 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -78.15 -65.28 1.0 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -60.66 123.19 16.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB1' ' OD1' ' A' ' 18' ' ' ASP . . . -44.8 139.78 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.731 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 87.1 t -69.83 -32.04 50.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.492 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 5.1 p-10 -66.79 -3.87 7.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -113.04 -2.33 14.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.731 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 44.3 m0 -64.86 163.37 14.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' GLU . 24.1 p -119.65 154.71 33.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 21' ' ' THR . 1.4 m -37.25 -28.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 21' ' ' THR . 7.4 tt0 -76.92 -54.55 6.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.85 -41.84 98.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 1.015 HG13 HD12 ' A' ' 53' ' ' LEU . 47.8 t -47.88 -51.68 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.185 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.719 HG21 ' CD2' ' A' ' 44' ' ' LEU . 99.3 t -67.96 -34.67 68.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.03 -54.83 41.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.617 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 34.2 t90 -55.41 -42.57 74.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.467 HD22 ' CZ ' ' A' ' 43' ' ' PHE . 12.2 tp -73.1 -25.63 60.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -78.14 8.58 4.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -111.96 -30.45 7.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.671 HD13 HG12 ' A' ' 76' ' ' VAL . 6.6 mt -60.54 -29.48 69.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.45 165.27 32.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.458 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -25.55 28.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.631 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 9.7 p-90 -66.11 -17.47 64.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.492 ' N ' ' CE3' ' A' ' 35' ' ' TRP . . . -52.96 -39.28 62.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.7 t -59.47 -11.81 5.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.6 mt -84.12 -18.71 35.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.467 ' CZ ' ' ND1' ' A' ' 73' ' ' HIS . 76.4 m-85 -113.19 -32.28 6.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.468 ' HB2' HG13 ' A' ' 26' ' ' VAL . 7.9 ptm180 -37.88 -46.64 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.446 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 31.3 m-20 -46.72 -44.28 18.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.8 mtt-85 -67.78 -37.3 81.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.467 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 73.5 m-85 -62.16 -43.82 97.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.719 ' CD2' HG21 ' A' ' 26' ' ' VAL . 2.9 mm? -70.77 -56.25 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -51.79 -44.56 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' ARG . 76.7 mm-40 -88.02 16.01 6.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' GLU . 32.0 mmt180 34.37 41.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.624 ' HA ' HD23 ' A' ' 52' ' ' LEU . 61.1 t -65.96 95.31 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -82.07 168.42 17.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -50.55 -56.11 14.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.455 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -49.31 -34.71 16.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.624 HD23 ' HA ' ' A' ' 48' ' ' VAL . 26.7 tp -80.92 -35.11 32.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.015 HD12 HG13 ' A' ' 25' ' ' VAL . 2.0 tt -62.16 -42.03 98.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.82 -45.71 92.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 51' ' ' ARG . 68.8 p -57.33 -42.93 82.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.155 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.525 HD13 ' CE1' ' A' ' 61' ' ' PHE . 70.1 mt -55.76 141.65 37.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.496 ' N ' ' OE2' ' A' ' 60' ' ' GLU . 30.6 p -124.01 -174.9 3.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.421 ' HB2' HD11 ' A' ' 78' ' ' LEU . 31.2 tt0 -60.84 -18.2 54.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -82.71 -55.78 4.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.496 ' OE2' ' N ' ' A' ' 57' ' ' THR . 1.6 mp0 -50.36 -52.25 38.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.899 ' HB3' HD12 ' A' ' 68' ' ' ILE . 22.4 m-85 -58.32 -28.32 64.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.1 t -77.88 -31.89 51.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.3 ptt85 -94.03 164.95 12.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.729 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -61.93 162.32 17.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.541 0.686 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.729 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.7 Cg_endo -69.81 -44.77 0.47 Allowed 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.298 0.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.589 ' O ' HG22 ' A' ' 67' ' ' THR . 3.6 m-85 -41.2 -48.88 3.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 66' ' ' TYR . 10.9 t 44.76 29.13 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.899 HD12 ' HB3' ' A' ' 61' ' ' PHE . 17.6 mt -34.14 94.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 67' ' ' THR . 26.8 mt-10 -85.95 43.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -154.98 106.28 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 72' ' ' SER . 66.0 m -57.93 -54.64 44.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.448 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.4 t -35.47 -50.9 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.923 ' NE2' HD11 ' A' ' 77' ' ' ILE . 13.8 t-160 -60.82 -47.25 87.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.435 ' NH1' ' O ' ' A' ' 68' ' ' ILE . 50.6 mtm-85 -57.43 -43.17 83.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.814 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -58.19 -39.0 77.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.671 HG12 HD13 ' A' ' 32' ' ' LEU . 60.0 t -66.97 -51.77 51.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.923 HD11 ' NE2' ' A' ' 73' ' ' HIS . 97.3 mt -59.25 -60.7 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.421 HD11 ' HB2' ' A' ' 58' ' ' GLU . 31.0 mt -53.8 -61.67 2.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.5 m -43.68 -62.45 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -54.83 -41.44 70.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.828 HD11 ' CD2' ' A' ' 53' ' ' LEU . 4.7 mt -57.76 -32.43 67.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -69.72 -26.12 64.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 86' ' ' SER . 16.9 mtp180 -79.3 -55.89 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.403 HG23 HG21 ' A' ' 17' ' ' VAL . 15.9 m -55.46 -41.62 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 86' ' ' SER . 7.3 ptm180 -72.94 -42.89 62.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.421 ' N ' ' CG ' ' A' ' 85' ' ' ARG . 3.9 t -114.0 117.79 32.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -154.36 -70.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -8.46 23.66 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.345 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.4 t -61.86 174.35 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.9 m -101.86 164.5 11.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.473 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 t -53.18 140.44 26.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 110.858 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 t -157.67 172.53 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.25 -72.18 1.01 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 t -68.52 143.31 54.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 t -98.12 131.62 44.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.803 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.68 91.09 0.13 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.54 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -88.39 174.65 8.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 0.0 110.91 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.481 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 6.4 p80 -134.81 93.47 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.39 -49.27 0.36 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.878 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -63.92 -7.7 9.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.845 0.355 . . . . 0.0 110.921 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.621 ' N ' HD13 ' A' ' 11' ' ' LEU . 33.7 mt -55.32 -60.56 3.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.473 HG12 HG12 ' A' ' 84' ' ' VAL . 21.3 m -54.39 -38.23 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.401 ' N ' HG23 ' A' ' 13' ' ' VAL . 24.0 t-80 -56.82 -57.59 11.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -77.02 128.63 34.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.67 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . -48.28 140.12 7.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.526 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 91.1 t -66.44 -31.65 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -70.41 -0.16 7.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.67 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 4.5 mptp? -113.16 -2.41 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.526 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 40.7 m0 -67.68 168.9 10.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 25' ' ' VAL . 24.6 p -122.21 166.23 14.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 47' ' ' ARG . 1.1 m -48.1 -19.56 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -87.68 -55.24 3.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -60.05 -42.77 95.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.791 HG13 HD12 ' A' ' 53' ' ' LEU . 69.5 t -50.16 -51.58 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.675 HG21 ' CD2' ' A' ' 44' ' ' LEU . 95.2 t -68.24 -29.42 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.7 mt -65.67 -53.53 39.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -57.69 -38.44 75.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.454 HD22 ' CZ ' ' A' ' 43' ' ' PHE . 5.6 tp -75.62 -25.69 57.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -79.6 12.3 2.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -116.65 -23.65 8.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.683 HD13 ' HG3' ' A' ' 80' ' ' GLU . 4.4 mt -66.49 -25.61 66.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.07 164.2 29.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -21.51 33.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.373 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.632 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 12.5 p-90 -71.32 -14.51 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.434 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -56.93 -38.78 73.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 t -60.79 -14.89 24.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.5 mt -83.15 -12.56 56.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.446 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 70.6 m-85 -119.16 -29.19 5.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' TYR . 7.8 ptm180 -38.42 -45.41 1.02 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -46.57 -48.26 19.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.1 mtt-85 -61.67 -40.88 96.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.454 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 34.8 m-85 -59.48 -49.69 76.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.675 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.0 mm? -66.23 -56.07 13.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -51.97 -47.73 64.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -84.87 2.72 41.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.465 ' HA ' ' CG2' ' A' ' 22' ' ' THR . 0.0 OUTLIER 43.91 46.44 6.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.598 ' HA ' HD23 ' A' ' 52' ' ' LEU . 96.5 t -69.44 87.23 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -73.6 159.12 33.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.426 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -40.57 -56.11 3.05 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.458 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.623 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -44.85 -46.84 10.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.888 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.598 HD23 ' HA ' ' A' ' 48' ' ' VAL . 52.9 tp -72.12 -31.26 65.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.791 HD12 HG13 ' A' ' 25' ' ' VAL . 1.6 tt -61.79 -44.06 97.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.855 HD23 HD21 ' A' ' 81' ' ' LEU . 77.3 mt -67.77 -46.63 71.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 51' ' ' ARG . 55.2 p -55.45 -35.85 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 53' ' ' LEU . 28.4 mt -53.32 152.94 4.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.0 p -126.6 166.93 16.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -55.15 -20.37 10.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.59 -63.89 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -43.15 -45.41 5.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.552 ' HB3' HD12 ' A' ' 68' ' ' ILE . 17.7 m-85 -55.01 -35.52 64.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -78.3 -26.92 47.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -82.49 168.63 17.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.637 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -73.32 159.75 84.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.717 . . . . 0.0 111.108 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.637 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.8 Cg_endo -69.69 -44.15 0.54 Allowed 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.355 -0.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.5 m-85 -32.06 -39.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.769 ' O ' HG23 ' A' ' 67' ' ' THR . 1.3 t 32.56 34.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.552 HD12 ' HB3' ' A' ' 61' ' ' PHE . 59.2 mt -51.14 93.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.085 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -78.59 -22.41 47.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -87.49 88.08 7.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 74' ' ' ARG . 55.1 m -40.16 -53.56 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.492 ' O ' HG23 ' A' ' 76' ' ' VAL . 4.1 m -34.37 -42.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.666 ' CE1' HD11 ' A' ' 77' ' ' ILE . 57.3 t-80 -59.95 -47.67 84.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 71' ' ' SER . 16.3 mtm105 -61.05 -41.3 96.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.415 ' C ' ' HD3' ' A' ' 75' ' ' ARG . 3.6 tmt_? -58.95 -44.84 91.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.632 HG11 ' HZ2' ' A' ' 35' ' ' TRP . 66.9 t -62.69 -49.59 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.666 HD11 ' CE1' ' A' ' 73' ' ' HIS . 57.6 mt -62.11 -62.06 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.0 mt -51.56 -54.64 25.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.6 m -55.65 -52.75 62.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.683 ' HG3' HD13 ' A' ' 32' ' ' LEU . 12.3 mm-40 -58.44 -36.63 73.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.855 HD21 HD23 ' A' ' 54' ' ' LEU . 4.2 tp -69.25 -33.73 73.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -63.12 -22.88 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -87.15 -55.27 3.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.544 HG22 ' HA ' ' A' ' 81' ' ' LEU . 13.8 m -55.45 -38.28 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.489 ' CG ' ' N ' ' A' ' 86' ' ' SER . 5.2 ptm180 -75.13 -47.47 28.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.489 ' N ' ' CG ' ' A' ' 85' ' ' ARG . 5.1 t -46.36 -65.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.409 ' HA3' ' HD2' ' A' ' 88' ' ' PRO . . . 121.57 -136.36 11.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.508 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.409 ' HD2' ' HA3' ' A' ' 87' ' ' GLY . 54.0 Cg_endo -69.76 99.8 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.644 2.23 . . . . 0.0 112.382 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.3 m -156.51 141.05 16.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.8 t -77.25 -50.45 12.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.822 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.2 m 48.78 46.93 21.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 110.829 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 m -137.22 126.15 24.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.04 47.67 3.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.9 p -96.18 101.17 12.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 110.854 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m 52.11 28.91 5.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.908 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.18 99.11 1.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -117.14 167.75 10.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.448 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 27.9 p-80 -129.48 116.04 18.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.04 -32.07 2.39 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.774 HD22 ' C ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -78.51 -4.19 47.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.905 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.71 -57.58 12.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -57.18 -37.77 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -62.89 -54.91 31.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -79.71 126.28 30.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.616 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . -46.89 142.11 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.041 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.666 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 86.6 t -68.28 -31.64 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.439 ' OD1' ' CD ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -69.13 -1.3 7.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.616 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 3.9 mptp? -112.59 -5.06 14.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.666 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 41.2 m0 -64.54 166.55 8.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' GLU . 22.9 p -119.33 157.94 27.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -39.88 -25.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.1 tt0 -79.8 -57.84 3.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -58.78 -40.44 84.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.852 HG13 HD12 ' A' ' 53' ' ' LEU . 55.5 t -51.37 -48.58 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.635 HG21 ' CD2' ' A' ' 44' ' ' LEU . 93.5 t -71.06 -32.94 49.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.8 mt -62.27 -53.85 49.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -56.5 -40.44 74.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.481 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 8.2 tp -74.64 -27.28 60.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -77.77 8.46 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -111.72 -27.94 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.472 HD13 HG12 ' A' ' 76' ' ' VAL . 5.3 mt -62.43 -25.14 67.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.92 165.38 30.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -23.84 30.67 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.337 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.634 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 13.2 p-90 -69.66 -15.44 63.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.481 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -55.43 -31.25 61.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.079 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 t -68.06 -9.72 48.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.9 mt -85.14 -11.4 55.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.641 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 74.5 m-85 -120.14 -31.54 4.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.434 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 6.8 ptm180 -37.02 -46.94 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.796 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -45.31 -46.56 12.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 42' ' ' ARG . 1.7 mtp-105 -67.45 -39.14 85.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.413 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 35.0 m-85 -58.94 -42.97 91.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.635 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.2 mm? -74.11 -55.07 6.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -52.33 -45.06 65.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 47' ' ' ARG . 6.8 mm-40 -87.09 16.14 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 46' ' ' GLU . 11.1 mmt85 35.54 39.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.515 HG13 HD23 ' A' ' 52' ' ' LEU . 43.8 t -64.39 103.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -88.47 165.41 14.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -48.12 -47.54 26.69 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.459 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.16 -39.89 66.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 0.0 110.815 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.515 HD23 HG13 ' A' ' 48' ' ' VAL . 24.3 tp -74.62 -37.28 62.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.852 HD12 HG13 ' A' ' 25' ' ' VAL . 2.7 tt -59.43 -37.45 78.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.642 HD23 HD21 ' A' ' 81' ' ' LEU . 33.5 mt -65.16 -51.81 58.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.9 p -51.54 -48.58 63.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.909 HD13 ' CE1' ' A' ' 61' ' ' PHE . 57.1 mt -44.77 139.25 3.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.957 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 66.2 p -122.77 -179.16 4.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -56.41 -17.96 9.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.5 tt0 -90.81 -64.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -40.26 -34.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.909 ' CE1' HD13 ' A' ' 56' ' ' LEU . 14.8 m-85 -74.93 -37.38 62.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 59' ' ' GLU . 46.6 t -73.58 -25.29 60.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -102.16 165.15 11.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.64 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -58.8 159.98 11.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.515 0.674 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.64 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.5 Cg_endo -69.74 -46.27 0.37 Allowed 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.361 -0.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.516 ' O ' HG22 ' A' ' 67' ' ' THR . 2.7 m-85 -42.24 -43.16 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 66' ' ' TYR . 9.3 t 42.3 26.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.175 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.728 HD12 ' HB3' ' A' ' 61' ' ' PHE . 52.3 mt -37.55 92.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 67' ' ' THR . 19.6 mt-10 -81.61 42.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -150.99 108.59 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 74' ' ' ARG . 74.8 m -57.98 -61.31 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.568 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.4 t -36.38 -45.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.767 ' CE1' HD11 ' A' ' 77' ' ' ILE . 57.9 t-80 -59.21 -47.58 84.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 71' ' ' SER . 71.0 mtm-85 -61.59 -44.39 97.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.401 ' HD3' ' C ' ' A' ' 75' ' ' ARG . 2.5 tmt_? -55.87 -45.02 78.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.589 HG11 ' HZ2' ' A' ' 35' ' ' TRP . 57.4 t -61.5 -48.22 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.767 HD11 ' CE1' ' A' ' 73' ' ' HIS . 76.7 mt -62.56 -60.19 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 23.7 mt -52.01 -62.99 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.1 m -45.04 -64.45 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -49.87 -45.63 50.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.642 HD21 HD23 ' A' ' 54' ' ' LEU . 7.6 tp -55.91 -41.13 74.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.17 -40.45 70.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.8 mtp85 -68.07 -63.42 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.473 ' CG2' ' HA ' ' A' ' 81' ' ' LEU . 5.8 m -45.26 -46.24 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 86' ' ' SER . 7.3 ptm180 -71.45 -43.93 65.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.458 ' N ' ' HG3' ' A' ' 85' ' ' ARG . 16.7 t -68.27 135.05 51.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -177.99 115.52 0.5 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 171.99 13.49 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.729 2.286 . . . . 0.0 112.309 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.6 m -71.23 125.82 27.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.3 t -72.85 -56.53 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 p -152.66 118.96 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.84 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -67.35 153.23 44.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.47 93.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 p -54.29 121.9 9.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 110.823 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -170.5 138.56 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.19 136.81 8.65 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -117.23 144.56 44.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.353 . . . . 0.0 110.929 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -118.09 102.26 8.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.41 -40.7 0.37 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.448 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.706 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -76.63 1.23 17.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.353 . . . . 0.0 110.919 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.441 ' CD1' HE22 ' A' ' 31' ' ' GLN . 18.2 mt -59.51 -55.57 32.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 14' ' ' HIS . 35.9 m -56.71 -39.85 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.409 ' N ' HG23 ' A' ' 13' ' ' VAL . 13.2 m80 -62.88 -57.09 12.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.418 ' HE2' ' C ' ' A' ' 19' ' ' LYS . 55.9 tttt -71.71 123.11 21.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.55 134.42 19.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.063 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.615 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 81.7 t -59.12 -33.58 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.478 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -67.02 -3.45 7.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.437 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 0.7 OUTLIER -112.99 -1.88 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.615 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 43.1 m0 -66.54 166.17 13.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.483 ' O ' HG23 ' A' ' 25' ' ' VAL . 9.8 p -116.21 160.28 20.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -38.37 -34.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.88 -63.59 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -46.85 -42.92 18.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 1.072 HG13 HD12 ' A' ' 53' ' ' LEU . 89.7 t -51.44 -47.93 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.139 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.859 HG21 ' CD2' ' A' ' 44' ' ' LEU . 97.9 t -70.82 -32.12 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 27' ' ' LEU . 11.4 mt -62.45 -53.67 51.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.575 ' CD1' HG11 ' A' ' 84' ' ' VAL . 28.5 t90 -57.72 -40.86 80.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.927 HD22 ' CZ ' ' A' ' 43' ' ' PHE . 8.0 tp -74.9 -26.21 59.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' HA ' ' HB3' ' A' ' 36' ' ' ALA . 16.3 mt-10 -78.86 10.2 3.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.441 HE22 ' CD1' ' A' ' 12' ' ' LEU . 40.3 mt-30 -114.8 -28.31 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.602 HD22 ' CG ' ' A' ' 80' ' ' GLU . 7.1 mt -61.14 -24.06 66.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.68 166.32 32.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -25.08 29.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.71 2.273 . . . . 0.0 112.348 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.644 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 13.0 p-90 -68.17 -16.46 64.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 29' ' ' LEU . . . -60.28 -25.03 65.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.078 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.9 t -71.4 -14.01 62.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mt -85.53 -14.67 45.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.962 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 42' ' ' ARG . 20.1 m-85 -111.9 -28.95 7.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.452 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 14.2 ptt180 -34.99 -49.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.452 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 1.8 t70 -53.15 -44.23 67.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' TYR . 9.6 mtp85 -63.13 -31.2 72.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.927 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 15.5 m-85 -70.4 -56.17 7.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.859 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.2 mm? -59.47 -55.29 36.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -50.56 -52.31 40.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.409 ' HB2' HG23 ' A' ' 48' ' ' VAL . 25.4 mm-40 -77.02 7.8 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 46.74 34.74 2.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.96 HG13 HD12 ' A' ' 52' ' ' LEU . 86.2 t -60.81 98.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 50' ' ' GLY . 24.2 p-10 -90.43 158.01 17.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 49' ' ' ASN . . . -34.14 -64.51 0.38 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -49.2 4.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.96 HD12 HG13 ' A' ' 48' ' ' VAL . 3.3 tm? -62.01 -49.36 76.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.072 HD12 HG13 ' A' ' 25' ' ' VAL . 1.2 tt -50.08 -42.47 50.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 20.6 mt -62.37 -56.05 22.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.1 p -47.86 -34.99 9.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' ' 53' ' ' LEU . 55.7 mt -59.67 136.1 57.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.424 HG23 ' OE1' ' A' ' 60' ' ' GLU . 24.5 p -128.77 170.56 13.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.459 ' CB ' HD11 ' A' ' 78' ' ' LEU . 20.3 tt0 -44.26 -26.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.75 -65.06 1.04 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.424 ' OE1' HG23 ' A' ' 57' ' ' THR . 2.0 mp0 -44.11 -50.6 8.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.915 ' HB3' HD12 ' A' ' 68' ' ' ILE . 23.5 m-85 -55.05 -33.82 63.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.4 t -72.59 -21.51 61.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 88.6 mtt-85 -98.56 162.42 13.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.843 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.69 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -65.3 161.43 50.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.615 0.722 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.69 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.5 Cg_endo -69.75 -44.78 0.47 Allowed 'Cis proline' 0 C--N 1.342 0.217 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.337 -0.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 68' ' ' ILE . 2.9 m-85 -39.09 -40.73 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.95 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' TYR . 8.6 t 37.05 28.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.915 HD12 ' HB3' ' A' ' 61' ' ' PHE . 95.8 mt -41.25 107.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -100.4 -23.54 14.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 71' ' ' SER . 3.0 m-20 -77.84 94.58 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 70' ' ' ASN . 3.1 m -34.23 -56.9 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.844 ' O ' HG23 ' A' ' 76' ' ' VAL . 73.8 m -36.54 -50.43 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.644 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 5.6 t-80 -53.03 -51.03 63.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -61.87 -49.58 75.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -55.94 -39.92 72.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 72' ' ' SER . 52.9 t -68.93 -62.79 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.612 HD11 ' CE1' ' A' ' 73' ' ' HIS . 84.6 mt -49.46 -60.9 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.459 HD11 ' CB ' ' A' ' 58' ' ' GLU . 21.1 mt -49.81 -64.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.5 m -45.41 -67.59 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.602 ' CG ' HD22 ' A' ' 32' ' ' LEU . 32.2 mm-40 -46.77 -44.12 18.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.415 HD23 ' NH2' ' A' ' 85' ' ' ARG . 12.8 tp -61.78 -31.92 72.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.419 ' HA ' ' NE ' ' A' ' 85' ' ' ARG . 6.3 tp10 -68.56 -16.23 63.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -94.58 -63.08 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.575 HG11 ' CD1' ' A' ' 28' ' ' TRP . 6.8 m -44.9 -33.29 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.076 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 86' ' ' SER . 10.3 ptp180 -75.75 -44.05 43.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.464 ' N ' ' HG3' ' A' ' 85' ' ' ARG . 9.6 t -61.82 -55.98 24.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 42.88 58.8 3.52 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.513 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 -48.3 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.331 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.6 t -129.43 170.14 14.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.8 t -77.0 -58.11 3.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 m -40.0 -46.78 2.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 110.88 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -74.87 137.08 41.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.94 139.34 14.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.472 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -85.91 -51.16 6.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.932 0.396 . . . . 0.0 110.889 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 t -70.85 -57.88 4.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.95 142.35 3.26 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -129.05 175.51 8.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 2.2 p80 -113.81 113.96 25.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.93 -45.95 0.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.483 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.788 HD22 ' C ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -65.43 -9.87 29.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.339 . . . . 0.0 110.919 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.423 ' N ' HD22 ' A' ' 11' ' ' LEU . 32.9 mt -51.51 -54.64 25.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.492 HG23 ' N ' ' A' ' 14' ' ' HIS . 35.8 m -60.07 -44.98 96.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.492 ' N ' HG23 ' A' ' 13' ' ' VAL . 58.9 m-70 -53.71 -42.63 68.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.433 ' HE2' ' C ' ' A' ' 19' ' ' LYS . 43.8 tttt -93.36 136.13 33.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.595 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -57.42 145.65 32.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.475 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 85.3 t -70.77 -33.82 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.162 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.44 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -68.55 -2.24 8.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.44 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 1.9 mptp? -113.48 -2.89 13.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 41.4 m0 -66.47 173.34 3.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' GLU . 24.5 p -127.26 159.18 35.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.455 HG22 HD13 ' A' ' 44' ' ' LEU . 1.7 m -40.06 -25.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.3 tt0 -79.35 -58.83 3.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -59.66 -41.9 91.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.733 HG13 HD22 ' A' ' 53' ' ' LEU . 94.7 t -50.31 -51.72 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.636 HG21 ' CD2' ' A' ' 44' ' ' LEU . 91.8 t -68.75 -33.19 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 27' ' ' LEU . 12.0 mt -61.89 -53.91 49.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.577 ' CD1' HG11 ' A' ' 84' ' ' VAL . 24.5 t90 -56.39 -40.46 74.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.457 HD22 ' CZ ' ' A' ' 43' ' ' PHE . 9.8 tp -75.03 -25.77 58.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -79.2 8.14 6.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -111.5 -29.51 7.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.598 HD22 ' CD ' ' A' ' 80' ' ' GLU . 5.6 mt -59.75 -25.51 64.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.77 165.02 29.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -21.96 32.49 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.646 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 11.6 p-90 -71.09 -14.56 62.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.438 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -55.67 -27.28 49.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.8 t -68.61 -9.77 51.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.42 HD12 ' HB2' ' A' ' 35' ' ' TRP . 34.3 mt -80.86 -23.51 39.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.769 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 49.3 m-85 -113.17 -36.49 5.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.543 ' HB2' HG13 ' A' ' 26' ' ' VAL . 7.8 ptm180 -33.98 -44.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.436 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 1.1 m-20 -49.98 -48.15 52.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' TYR . 1.7 mtp-105 -64.55 -38.32 90.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.457 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 61.7 m-85 -58.03 -42.59 85.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.636 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.0 mm? -72.43 -56.28 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -52.74 -46.03 67.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.82 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.409 ' HB2' HG23 ' A' ' 48' ' ' VAL . 71.1 mm-40 -82.59 9.15 10.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 43.32 35.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.76 HG13 HD23 ' A' ' 52' ' ' LEU . 89.9 t -62.63 103.53 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.438 ' C ' HG21 ' A' ' 25' ' ' VAL . 12.0 p-10 -90.16 173.63 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.423 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -48.19 -62.47 4.26 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.448 ' HD2' ' C ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -37.21 -59.32 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.831 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.76 HD23 HG13 ' A' ' 48' ' ' VAL . 54.2 tp -55.75 -42.37 75.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.733 HD22 HG13 ' A' ' 25' ' ' VAL . 40.6 tp -57.33 -32.27 66.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.2 mt -76.33 -45.05 34.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.3 p -59.63 -46.15 89.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.708 HD13 ' CE1' ' A' ' 61' ' ' PHE . 44.0 mt -45.78 130.17 9.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.4 p -106.88 172.88 6.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.401 ' HA ' HD11 ' A' ' 78' ' ' LEU . 11.9 tt0 -56.89 -13.92 3.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -95.06 -58.07 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 28.6 mm-40 -46.02 -40.43 10.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.708 ' CE1' HD13 ' A' ' 56' ' ' LEU . 11.5 m-85 -59.69 -34.38 72.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 74' ' ' ARG . 22.4 t -87.34 2.09 51.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -109.45 146.48 34.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.544 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -52.67 153.4 5.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.548 0.689 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.2 Cg_endo -69.81 -45.9 0.39 Allowed 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.306 0.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 68' ' ' ILE . 8.8 m-85 -35.2 -44.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 65' ' ' PRO . 13.2 t 32.39 37.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.697 HD12 ' HB3' ' A' ' 61' ' ' PHE . 70.8 mt -45.47 92.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' THR . 17.8 mt-10 -81.21 41.97 0.63 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -152.51 107.47 3.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 74' ' ' ARG . 60.3 m -59.95 -58.73 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.602 ' O ' HG23 ' A' ' 76' ' ' VAL . 44.9 m -35.58 -38.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.769 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 56.4 t-80 -68.33 -47.19 68.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 71' ' ' SER . 43.0 mtm180 -59.52 -41.82 90.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -49.74 75.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.646 HG11 ' HZ2' ' A' ' 35' ' ' TRP . 59.5 t -57.02 -46.03 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.691 HD11 ' CE1' ' A' ' 73' ' ' HIS . 56.5 mt -64.5 -61.15 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.401 HD11 ' HA ' ' A' ' 58' ' ' GLU . 16.4 mt -52.11 -60.68 2.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 90.0 m -48.02 -58.38 4.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.598 ' CD ' HD22 ' A' ' 32' ' ' LEU . 21.9 mm-40 -55.09 -39.42 69.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.496 ' HA ' HG22 ' A' ' 84' ' ' VAL . 6.8 tp -61.03 -34.8 75.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -61.8 -31.94 72.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.419 ' HA ' ' CG ' ' A' ' 88' ' ' PRO . 32.0 mtp85 -76.54 -54.03 7.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.577 HG11 ' CD1' ' A' ' 28' ' ' TRP . 17.1 m -60.53 -35.99 66.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -84.08 -175.71 5.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.8 t -64.36 161.84 16.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 122.95 -90.01 0.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 89' ' ' SER . 53.9 Cg_endo -69.79 -0.24 6.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 88' ' ' PRO . 61.7 m -34.64 121.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.7 t -161.8 141.79 10.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.1 p -130.94 154.63 47.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.876 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 m -84.4 111.67 19.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.65 -110.85 2.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 t -41.73 105.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.895 0.379 . . . . 0.0 110.839 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -132.08 154.95 48.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.33 143.29 2.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -98.54 146.63 25.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.91 0.386 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.519 ' H ' ' CD2' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -124.21 99.89 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.46 -33.99 0.9 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.772 HD22 ' C ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -79.4 -8.68 59.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.907 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.446 ' N ' HD13 ' A' ' 11' ' ' LEU . 37.5 mt -49.74 -61.05 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.418 HG23 ' N ' ' A' ' 14' ' ' HIS . 34.8 m -50.08 -40.77 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.418 ' N ' HG23 ' A' ' 13' ' ' VAL . 18.6 t-160 -58.75 -59.49 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.406 ' HE2' ' C ' ' A' ' 19' ' ' LYS . 64.3 tttt -73.76 126.01 29.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.498 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . -49.73 136.73 17.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.729 ' HB ' HD11 ' A' ' 54' ' ' LEU . 60.0 t -62.06 -34.65 64.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.184 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -5.43 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 1.5 mptm? -111.47 -2.33 15.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.575 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 42.7 m0 -66.24 172.78 3.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' GLU . 22.6 p -127.96 159.27 35.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 m -40.96 -25.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' THR . 11.6 tt0 -80.37 -57.87 3.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.93 -43.22 91.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.921 HG13 HD12 ' A' ' 53' ' ' LEU . 38.2 t -47.45 -51.25 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.712 HG21 ' CD2' ' A' ' 44' ' ' LEU . 69.6 t -69.25 -35.52 68.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.4 mt -60.12 -51.89 67.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.1 t90 -57.23 -40.56 77.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.462 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 9.4 tp -75.17 -27.46 59.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -78.38 9.74 3.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.412 HE22 ' CD1' ' A' ' 12' ' ' LEU . 37.7 mt-30 -114.27 -22.99 9.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.492 HD13 HG12 ' A' ' 76' ' ' VAL . 5.4 mt -68.59 -26.2 65.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.88 165.6 31.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.49 29.59 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.349 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.74 ' HZ2' HG11 ' A' ' 76' ' ' VAL . 11.7 p-90 -67.88 -16.46 64.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.462 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -55.08 -40.1 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.442 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 9.3 t -59.0 -14.22 8.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.1 mt -80.55 -14.87 57.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.493 ' CZ ' ' ND1' ' A' ' 73' ' ' HIS . 59.1 m-85 -118.96 -33.17 4.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HB2' HG13 ' A' ' 26' ' ' VAL . 6.6 ptm180 -38.97 -41.56 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -52.81 -44.62 66.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.7 mtt-85 -64.65 -40.46 95.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -58.92 -54.91 41.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.712 ' CD2' HG21 ' A' ' 26' ' ' VAL . 2.6 mm? -58.06 -57.16 14.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -53.08 -43.17 66.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -84.59 8.53 16.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 41.61 39.56 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.63 ' HA ' HD23 ' A' ' 52' ' ' LEU . 44.3 t -70.08 107.05 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.484 ' C ' HG21 ' A' ' 25' ' ' VAL . 11.7 p30 -89.23 179.32 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.77 -63.14 4.98 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.428 ' O ' HG23 ' A' ' 55' ' ' THR . 2.6 tpt180 -43.35 -64.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.63 HD23 ' HA ' ' A' ' 48' ' ' VAL . 32.0 tp -46.64 -37.33 8.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.921 HD12 HG13 ' A' ' 25' ' ' VAL . 3.6 tt -64.19 -49.98 69.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.729 HD11 ' HB ' ' A' ' 17' ' ' VAL . 15.3 mt -62.02 -46.29 89.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 51' ' ' ARG . 43.8 p -54.91 -41.24 70.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.853 HD13 ' CE1' ' A' ' 61' ' ' PHE . 21.9 mt -52.83 157.4 1.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.8 p -118.51 168.67 10.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.146 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -61.39 -23.71 65.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.496 ' OE2' ' NE ' ' A' ' 63' ' ' ARG . 1.0 OUTLIER -83.0 -55.23 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -46.14 -45.66 16.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.866 ' HB3' HD12 ' A' ' 68' ' ' ILE . 23.8 m-85 -56.56 -29.59 62.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.423 ' HB2' ' NE ' ' A' ' 74' ' ' ARG . 10.6 t -95.59 7.11 47.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.496 ' NE ' ' OE2' ' A' ' 59' ' ' GLU . 15.9 mmt180 -100.59 -78.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.554 ' HA ' ' C ' ' A' ' 65' ' ' PRO . . . -177.62 152.99 0.95 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.531 0.682 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 64' ' ' ALA . 53.7 Cg_endo -69.76 -40.48 1.1 Allowed 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.313 -0.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.604 ' OH ' HG21 ' A' ' 48' ' ' VAL . 4.9 m-85 -35.13 -43.78 0.22 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 68' ' ' ILE . 11.5 t 38.06 26.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.866 HD12 ' HB3' ' A' ' 61' ' ' PHE . 97.5 mt -33.58 99.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -86.52 26.95 1.01 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.443 ' H ' HG22 ' A' ' 68' ' ' ILE . 7.8 t30 -142.72 105.67 4.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 72' ' ' SER . 16.0 m -51.96 -55.67 18.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.479 ' O ' HG23 ' A' ' 76' ' ' VAL . 3.2 m -34.52 -52.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.635 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 11.1 t-160 -56.97 -49.23 76.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.515 ' HG3' HG21 ' A' ' 68' ' ' ILE . 54.5 mtm180 -56.63 -46.35 81.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.408 ' C ' ' HD3' ' A' ' 75' ' ' ARG . 2.4 tmt_? -54.39 -40.25 68.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.74 HG11 ' HZ2' ' A' ' 35' ' ' TRP . 59.8 t -63.54 -50.48 78.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.467 HD11 ' NE2' ' A' ' 73' ' ' HIS . 62.1 mt -61.78 -66.23 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -46.32 -61.79 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.3 m -47.57 -63.99 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -50.88 -35.33 32.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.403 ' HA ' HG22 ' A' ' 84' ' ' VAL . 6.6 tp -67.31 -37.44 83.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.33 -25.28 65.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -82.54 -64.63 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.403 HG22 ' HA ' ' A' ' 81' ' ' LEU . 9.7 m -44.62 -44.28 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 86' ' ' SER . 6.7 ptm180 -71.62 -43.07 66.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.418 ' N ' ' HG3' ' A' ' 85' ' ' ARG . 31.6 t -77.17 154.53 33.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.57 -96.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 136.04 31.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.7 p -103.66 134.39 47.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.8 t -147.43 140.92 25.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.4 m -141.93 160.73 39.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -92.13 149.95 21.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.91 -88.76 0.42 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.45 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 m 38.57 51.48 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.4 p -117.85 128.75 55.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.29 132.16 32.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' HIS . 17.0 tt0 -110.98 43.03 1.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.851 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.51 ' CG ' ' OE1' ' A' ' 31' ' ' GLN . 4.0 t60 -34.74 104.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.97 -57.28 0.38 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.844 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -73.8 1.4 10.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.832 0.349 . . . . 0.0 110.939 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 28' ' ' TRP . 2.6 mp -64.97 -60.63 2.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.7 m -44.52 -34.78 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -73.8 -65.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 16' ' ' ALA . 20.9 tttt -59.36 108.03 0.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' LYS . . . -35.17 137.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.062 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.558 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 97.1 t -60.97 -30.92 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.413 ' OD1' ' HD2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -65.28 -4.2 5.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' HD2' ' OD1' ' A' ' 18' ' ' ASP . 3.3 mptp? -107.88 -4.62 17.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.558 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 36.7 m0 -68.71 165.61 19.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' GLU . 16.2 p -120.52 157.02 30.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' THR . 2.3 m -37.51 -27.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' THR . 8.0 tt0 -78.87 -61.89 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.3 -45.72 69.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.658 HG13 HD22 ' A' ' 53' ' ' LEU . 91.0 t -45.35 -49.9 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.497 HG13 ' HB2' ' A' ' 40' ' ' ARG . 58.4 t -69.42 -37.56 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.0 mt -58.95 -49.32 78.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.572 ' CZ3' HD21 ' A' ' 53' ' ' LEU . 25.1 t90 -58.17 -39.93 80.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.509 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 8.2 tp -76.4 -28.08 56.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.423 ' HA ' ' HB3' ' A' ' 36' ' ' ALA . 8.5 mt-10 -76.42 7.42 4.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.51 ' OE1' ' CG ' ' A' ' 9' ' ' HIS . 35.6 mt-30 -109.29 -29.68 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.648 HD13 HG12 ' A' ' 76' ' ' VAL . 7.0 mt -61.48 -26.97 68.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.83 165.58 31.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -23.63 30.47 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.671 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 12.1 p-90 -69.61 -15.24 63.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.509 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -56.75 -40.52 75.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.118 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 t -59.82 -14.59 15.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.7 mt -83.44 -11.47 57.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.599 ' CD1' ' NE2' ' A' ' 73' ' ' HIS . 39.7 m-85 -119.64 -33.78 3.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.614 ' O ' HD22 ' A' ' 44' ' ' LEU . 9.7 ptm180 -36.34 -41.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -47.63 -47.49 29.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.8 mtm105 -58.64 -42.14 87.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.458 ' HD2' HG12 ' A' ' 25' ' ' VAL . 2.9 m-85 -58.22 -58.66 7.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.614 HD22 ' O ' ' A' ' 40' ' ' ARG . 1.1 mm? -55.69 -57.45 11.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -51.42 -46.23 62.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -86.6 9.43 18.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 41.11 40.24 1.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.677 HG13 HD23 ' A' ' 52' ' ' LEU . 84.7 t -66.09 102.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -83.77 166.35 18.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' A' ' 17' ' ' VAL . . . -46.67 -59.36 5.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.408 ' HG2' ' OD2' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -41.78 -53.25 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.362 . . . . 0.0 110.881 -179.853 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.677 HD23 HG13 ' A' ' 48' ' ' VAL . 51.2 tp -60.14 -39.11 85.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.71 ' HA ' HD12 ' A' ' 56' ' ' LEU . 24.8 tp -56.73 -35.88 69.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.4 mt -69.01 -54.72 13.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.2 p -51.54 -32.87 29.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 53' ' ' LEU . 69.8 mt -61.02 129.33 40.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' GLU . 80.6 p -122.07 166.65 14.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -38.81 -26.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 57' ' ' THR . 1.3 tt0 -83.01 -66.71 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -41.61 -41.15 2.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.551 ' CD2' HD11 ' A' ' 78' ' ' LEU . 55.1 m-85 -62.85 -38.23 89.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.4 p -77.52 4.54 10.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -112.16 148.61 33.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.642 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -62.58 159.77 40.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 111.097 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.642 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.3 Cg_endo -69.8 -28.61 6.18 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.32 0.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.493 ' O ' ' C ' ' A' ' 67' ' ' THR . 1.5 m-85 -46.48 -44.07 17.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.591 ' O ' HG23 ' A' ' 67' ' ' THR . 8.2 t 28.97 42.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.541 HD13 ' ND1' ' A' ' 73' ' ' HIS . 20.6 mt -53.26 91.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -86.14 44.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -148.63 108.99 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 72' ' ' SER . 54.7 m -52.67 -60.9 2.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.655 ' O ' HG23 ' A' ' 76' ' ' VAL . 11.7 t -35.69 -48.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.671 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 2.7 t-80 -54.54 -51.6 64.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.835 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 72.1 mtm-85 -63.83 -47.41 80.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -54.93 -41.85 71.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 72' ' ' SER . 58.1 t -73.08 -53.85 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.571 HD11 ' CE1' ' A' ' 73' ' ' HIS . 54.3 mt -54.58 -64.58 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.551 HD11 ' CD2' ' A' ' 61' ' ' PHE . 10.1 mp -48.55 -68.84 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' LEU . 55.2 m -37.4 -61.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.44 ' HG3' HD13 ' A' ' 32' ' ' LEU . 16.5 mm-40 -56.71 -35.52 68.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.453 ' HA ' HG22 ' A' ' 84' ' ' VAL . 8.3 tp -67.61 -38.26 83.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -60.72 -21.46 62.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.3 mtt-85 -88.31 -61.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.53 HG23 HG21 ' A' ' 17' ' ' VAL . 15.7 m -52.28 -32.72 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 86' ' ' SER . 11.3 ptm180 -75.73 -40.56 55.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.478 ' N ' ' HG3' ' A' ' 85' ' ' ARG . 1.1 m -77.93 173.32 12.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -128.22 146.36 16.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 89' ' ' SER . 53.3 Cg_endo -69.79 2.28 3.69 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 88' ' ' PRO . 11.3 p -35.79 138.28 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.6 t -130.48 163.63 26.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.802 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.538 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.6 p -140.25 172.61 12.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.899 0.38 . . . . 0.0 110.853 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -91.64 -56.03 3.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.817 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.49 -159.24 11.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 p -130.4 -54.56 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.839 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t 64.43 52.9 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.31 103.07 0.53 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.449 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 9' ' ' HIS . 44.8 mt-10 -110.19 105.9 15.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.914 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 8' ' ' GLU . 8.2 p80 -34.8 107.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.66 -38.57 0.76 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.813 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -73.33 1.81 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.926 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.48 ' N ' HD13 ' A' ' 11' ' ' LEU . 52.0 mt -68.86 -49.22 60.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.7 m -65.0 -24.0 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -82.85 -45.43 14.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.402 ' HD3' ' CD1' ' A' ' 20' ' ' TRP . 20.6 tttp -81.74 134.28 35.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.44 134.99 57.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.58 ' HA ' ' CD1' ' A' ' 20' ' ' TRP . 59.6 t -63.39 -33.45 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.42 ' CG ' ' HD2' ' A' ' 19' ' ' LYS . 2.0 p-10 -64.13 -6.13 6.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 4.6 mptp? -113.59 -1.16 14.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.58 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 43.2 m0 -65.94 162.97 18.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.1 p -113.3 156.98 22.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.489 HG22 HD13 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -37.89 -35.26 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -72.3 -59.44 2.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -52.15 -45.37 65.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.675 HG13 HD22 ' A' ' 53' ' ' LEU . 91.7 t -48.59 -50.53 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.918 HG21 ' CD2' ' A' ' 44' ' ' LEU . 90.0 t -69.04 -38.48 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.3 mt -58.08 -50.12 74.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.606 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 25.3 t90 -56.98 -41.14 77.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.59 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 11.3 tp -73.65 -26.94 61.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.951 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -76.73 7.42 4.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.433 HE22 ' CD1' ' A' ' 12' ' ' LEU . 38.2 mt-30 -112.31 -21.53 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.596 HD13 HG12 ' A' ' 76' ' ' VAL . 5.9 mt -72.6 -26.64 61.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.3 164.58 31.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -24.97 29.03 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.645 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 12.9 p-90 -66.75 -17.45 64.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.59 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -56.91 -30.82 64.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.6 t -68.76 -9.6 51.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.3 mt -88.31 -10.93 47.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 42' ' ' ARG . 23.1 m-85 -119.23 -23.61 6.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.427 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 14.1 ptt180 -38.81 -48.33 1.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 40' ' ' ARG . 2.1 m-20 -53.24 -39.86 64.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' TYR . 9.2 mtp85 -67.89 -35.77 79.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.552 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 3.5 m-85 -67.8 -52.59 35.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.918 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.4 mm? -62.01 -55.72 26.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 t -51.57 -49.55 61.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.491 ' HB2' HG23 ' A' ' 48' ' ' VAL . 28.0 mm-40 -76.42 6.87 5.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 48.29 32.87 3.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.869 HG13 HD12 ' A' ' 52' ' ' LEU . 80.3 t -61.36 97.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 50' ' ' GLY . 6.1 p-10 -91.96 162.64 14.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 49' ' ' ASN . . . -33.97 -67.14 0.25 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.509 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -42.58 -45.07 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.857 -179.855 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.869 HD12 HG13 ' A' ' 48' ' ' VAL . 1.7 tm? -63.52 -49.76 72.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.77 ' HA ' HD12 ' A' ' 56' ' ' LEU . 18.2 tp -48.37 -37.52 16.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.5 mt -71.77 -52.72 16.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 51' ' ' ARG . 45.1 p -51.74 -18.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' ' 53' ' ' LEU . 65.4 mt -74.13 145.18 44.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 59' ' ' GLU . 72.9 p -137.23 163.13 31.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 57' ' ' THR . 17.4 tt0 -34.4 -33.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 62' ' ' SER . 4.7 mt-10 -73.26 -75.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 59' ' ' GLU . 79.4 mm-40 -35.49 -40.17 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.764 ' HB3' HD12 ' A' ' 68' ' ' ILE . 18.6 m-85 -62.66 -45.34 93.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.6 p -75.64 -9.6 58.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 49.7 mmm-85 -96.15 148.51 22.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.678 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -60.87 160.82 17.92 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.532 0.682 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.678 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.8 Cg_endo -69.77 -27.1 7.02 Favored 'Cis proline' 0 C--N 1.341 0.143 0 C-N-CA 122.717 -1.785 . . . . 0.0 112.33 0.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.498 ' O ' ' N ' ' A' ' 68' ' ' ILE . 1.5 m-85 -50.41 -42.09 53.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 66' ' ' TYR . 10.7 t 34.93 31.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.764 HD12 ' HB3' ' A' ' 61' ' ' PHE . 88.1 mt -43.65 105.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -98.81 -27.19 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 71' ' ' SER . 2.5 m-20 -76.76 92.26 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 74' ' ' ARG . 4.9 m -33.63 -54.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.643 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.3 t -36.15 -49.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.645 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 5.2 t-80 -56.32 -45.12 80.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 71' ' ' SER . 12.4 mtm180 -67.06 -47.22 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -59.43 -44.84 92.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 72' ' ' SER . 85.2 t -64.19 -59.13 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.615 HD11 ' CE1' ' A' ' 73' ' ' HIS . 68.9 mt -54.75 -59.19 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.2 mt -53.5 -68.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.3 m -38.47 -63.3 0.51 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -52.97 -47.49 68.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.606 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 6.0 mt -55.72 -31.45 62.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -74.31 -15.74 60.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -94.56 -55.11 3.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 12.4 m -51.38 -42.65 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 86' ' ' SER . 18.3 ptp180 -62.32 -46.28 89.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 85' ' ' ARG . 0.7 OUTLIER -38.51 -71.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.818 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 112.89 -102.2 1.27 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.461 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -17.81 37.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.6 m -69.49 -62.7 1.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.6 p -110.71 157.14 20.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.465 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 t -70.5 109.28 4.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.824 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 t -141.41 129.93 22.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.33 81.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -114.68 98.25 6.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.818 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.0 t -164.29 152.74 12.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.64 99.88 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -142.48 126.57 17.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.499 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 49.9 p-80 -56.3 104.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 12' ' ' LEU . . . 162.06 -80.69 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.534 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 12' ' ' LEU . 0.8 OUTLIER -35.72 -32.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.926 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.512 HD12 ' CH2' ' A' ' 20' ' ' TRP . 4.1 mm? -33.49 -61.6 0.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 10' ' ' GLY . 15.8 m -63.97 -40.05 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -60.62 -69.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -63.5 136.53 57.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.591 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . -56.73 134.44 54.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.05 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.873 HG22 ' CZ2' ' A' ' 20' ' ' TRP . 79.7 t -62.99 -29.82 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.498 ' OD1' ' CD ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -69.39 -1.11 7.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.591 ' HD3' ' HB3' ' A' ' 16' ' ' ALA . 4.3 mptp? -113.44 -2.05 14.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.873 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 46.7 m0 -64.56 162.35 15.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.939 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 23' ' ' GLU . 20.7 p -117.46 157.01 27.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.418 HG22 HD13 ' A' ' 44' ' ' LEU . 1.8 m -37.74 -27.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.132 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 21' ' ' THR . 10.4 tt0 -78.64 -56.16 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -60.43 -43.26 96.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.846 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 50' ' ' GLY . 55.6 t -48.18 -50.0 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.704 HG21 ' CD2' ' A' ' 44' ' ' LEU . 90.3 t -71.25 -34.94 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.15 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' A' ' 27' ' ' LEU . 11.6 mt -59.9 -51.31 70.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.59 ' CH2' ' HG ' ' A' ' 81' ' ' LEU . 21.6 t90 -56.12 -40.26 73.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.605 ' HG ' ' HB1' ' A' ' 36' ' ' ALA . 9.2 tp -72.99 -26.8 61.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -76.11 5.88 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -108.66 -25.61 10.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.664 HD13 HG12 ' A' ' 76' ' ' VAL . 4.1 mt -67.85 -28.73 67.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.61 164.05 30.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -22.41 31.74 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.647 2.231 . . . . 0.0 112.34 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.665 ' CZ3' ' CD2' ' A' ' 73' ' ' HIS . 11.8 p-90 -69.53 -15.55 63.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.605 ' HB1' ' HG ' ' A' ' 29' ' ' LEU . . . -54.76 -37.2 65.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 t -64.93 -12.43 49.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.9 mt -85.05 -15.53 43.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -116.37 -29.82 6.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -39.61 -36.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.41 -45.05 62.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.427 ' HB2' ' NH1' ' A' ' 42' ' ' ARG . 14.9 mtm105 -68.62 -30.61 69.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -68.5 -50.64 50.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.704 ' CD2' HG21 ' A' ' 26' ' ' VAL . 3.1 mm? -65.12 -54.35 31.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -52.22 -43.63 64.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -86.17 4.99 36.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 45.32 39.16 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.552 ' HA ' HD23 ' A' ' 52' ' ' LEU . 35.0 t -63.4 99.2 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -88.71 162.02 16.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.424 ' N ' ' CG2' ' A' ' 25' ' ' VAL . . . -40.65 -61.48 1.86 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.46 ' O ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -43.45 -43.3 5.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 0.0 110.836 -179.867 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.552 HD23 ' HA ' ' A' ' 48' ' ' VAL . 13.2 tp -70.76 -39.77 73.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.558 ' CD2' HD21 ' A' ' 81' ' ' LEU . 51.5 tp -55.9 -55.2 35.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 18' ' ' ASP . 68.6 mt -49.35 -55.56 12.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.958 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 51' ' ' ARG . 43.7 p -51.07 -45.9 61.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 53' ' ' LEU . 85.6 mt -52.64 131.3 34.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 70.7 p -116.71 171.92 7.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -40.28 -42.69 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -65.08 -71.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 59' ' ' GLU . 10.2 mm-40 -34.95 -44.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.517 ' HB3' HD12 ' A' ' 68' ' ' ILE . 30.7 m-85 -57.86 -45.01 86.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 59' ' ' GLU . 35.9 t -76.63 -7.87 56.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -96.8 145.94 25.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.613 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -58.27 158.96 12.52 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.529 0.681 . . . . 0.0 111.127 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.613 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 53.8 Cg_endo -69.75 -29.08 5.9 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.737 -1.776 . . . . 0.0 112.324 0.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.479 ' O ' ' C ' ' A' ' 67' ' ' THR . 1.2 m-85 -45.7 -44.54 13.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 67' ' ' THR . 13.6 t 30.69 41.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.624 HD13 ' ND1' ' A' ' 73' ' ' HIS . 32.5 mt -50.64 89.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 67' ' ' THR . 20.0 mt-10 -79.55 44.32 0.61 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.95 114.06 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 72' ' ' SER . 10.7 t -60.45 -57.43 12.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.673 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.4 t -35.82 -42.01 0.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.761 ' CE1' HD11 ' A' ' 77' ' ' ILE . 29.9 t-80 -64.18 -49.63 71.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 62' ' ' SER . 46.7 mtm180 -62.98 -43.25 99.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -55.92 -48.04 76.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 72' ' ' SER . 53.3 t -64.61 -58.43 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.761 HD11 ' CE1' ' A' ' 73' ' ' HIS . 56.2 mt -50.01 -56.72 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 79' ' ' THR . 6.8 mp -59.55 -70.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 78' ' ' LEU . 73.4 m -34.19 -51.33 0.43 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.456 ' OE2' HD22 ' A' ' 32' ' ' LEU . 6.3 mm-40 -64.47 -45.59 86.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.59 ' HG ' ' CH2' ' A' ' 28' ' ' TRP . 4.6 mt -61.27 -30.56 70.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.45 -28.76 68.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -84.44 -63.15 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.475 HG22 ' HA ' ' A' ' 81' ' ' LEU . 27.8 m -42.47 -40.06 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.503 ' CG ' ' N ' ' A' ' 86' ' ' SER . 8.2 ptm180 -74.23 -48.54 28.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.503 ' N ' ' CG ' ' A' ' 85' ' ' ARG . 3.7 t -53.35 140.21 27.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 165.23 144.94 4.23 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.459 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 170.27 16.97 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.653 2.236 . . . . 0.0 112.349 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 34.7 m -78.08 138.68 38.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.0 t -94.41 -45.55 7.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 -179.982 . . . . . . . . 0 0 . 1 stop_ save_