data_2eo2_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 2eo2 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.809 0.338 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.69 -47.49 13.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.802 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -41.96 -55.54 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.46 -53.37 30.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 16' ' ' TYR . 33.8 mt -55.73 -50.29 70.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' LEU . 7.4 t80 -37.11 -47.76 0.77 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -55.44 -58.04 9.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -48.94 -51.85 27.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.0 mt -53.95 -56.78 14.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.453 HG23 ' CE1' ' A' ' 29' ' ' PHE . 20.6 t -109.48 81.17 1.72 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 175.39 8.16 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.465 HD13 ' N ' ' A' ' 26' ' ' VAL . 8.1 tp -127.35 97.87 5.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.7 m -122.39 -31.54 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -93.04 11.71 26.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.4 13.34 79.97 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.465 ' N ' HD13 ' A' ' 22' ' ' LEU . 6.3 p -154.48 117.04 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.165 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -74.51 116.58 15.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -147.57 133.17 18.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.453 ' CE1' HG23 ' A' ' 20' ' ' VAL . 23.8 m-85 -56.35 178.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.5 m -126.43 161.04 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -50.62 -20.42 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mp -82.33 -56.01 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -56.49 -48.86 76.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' ARG . 4.8 mt -54.25 -66.47 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 t -38.36 -27.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' LEU . 56.6 mtm180 -86.99 -41.7 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 34' ' ' LEU . 19.1 mt -60.67 -44.81 96.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.447 ' CD ' ' O ' ' A' ' 34' ' ' LEU . 0.8 OUTLIER -46.52 -52.14 13.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -43.75 -44.44 6.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.2 mt -69.01 -31.77 70.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.21 19.21 9.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.469 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 58.5 mt -94.74 90.59 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -76.56 64.7 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.835 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.409 ' CD ' HD22 ' A' ' 50' ' ' LEU . 18.2 mttm -128.41 146.72 50.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.4 m -112.9 -47.16 3.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -84.89 143.33 40.09 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 -8.16 22.91 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.723 2.282 . . . . 0.0 112.329 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.9 m -74.75 -52.18 12.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.8 p -57.08 -31.59 65.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.157 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.409 HD22 ' CD ' ' A' ' 44' ' ' LYS . 4.0 mm? -54.96 147.21 15.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' GLU . 9.8 t -123.89 152.84 41.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 51' ' ' THR . 43.2 mt-10 -34.47 -43.1 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -59.84 -46.46 89.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 51' ' ' THR . 6.3 mm-40 -72.02 -43.21 65.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 84.2 t -55.56 -55.9 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -55.53 -34.12 64.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -70.86 -51.94 23.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -57.15 -29.77 63.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.46 -42.18 18.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -49.58 -56.52 9.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.826 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.7 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.833 0.349 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.49 -42.78 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -65.86 -43.52 88.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.25 -59.62 4.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.19 -45.89 89.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -50.04 -59.38 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -45.17 -43.05 9.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -71.56 -39.28 70.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.7 mt -62.45 -44.36 96.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.525 HG21 ' CE1' ' A' ' 29' ' ' PHE . 58.4 t -122.34 80.61 45.47 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.647 0.737 . . . . 0.0 111.125 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 152.22 69.75 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.512 ' CD1' ' N ' ' A' ' 26' ' ' VAL . 6.5 tp -87.22 58.86 5.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.7 m -66.98 146.7 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 51.21 29.53 4.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.407 ' C ' HD13 ' A' ' 22' ' ' LEU . . . 61.02 32.15 79.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.512 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 2.7 p -158.0 113.5 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -79.53 145.18 33.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -171.77 141.16 1.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.551 ' CE2' HD13 ' A' ' 37' ' ' LEU . 20.6 m-85 -65.28 157.55 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.474 ' N ' ' OE1' ' A' ' 33' ' ' GLN . 13.8 t -101.42 154.34 18.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -38.32 -39.73 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.4 mt -71.16 -55.05 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.474 ' OE1' ' N ' ' A' ' 30' ' ' SER . 34.6 mt-30 -50.32 -44.12 54.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 37' ' ' LEU . 4.8 mt -57.29 -64.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 t -43.13 -27.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.7 mtt-85 -84.96 -35.66 21.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.551 HD13 ' CE2' ' A' ' 29' ' ' PHE . 29.8 mt -66.24 -38.27 87.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -66.63 -43.54 84.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -53.97 -46.46 71.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.7 mt -62.68 -32.1 73.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.57 23.54 7.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.463 ' CG2' ' HD2' ' A' ' 44' ' ' LYS . 87.2 mt -80.09 -49.55 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 0.0 111.108 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.3 m80 62.98 49.98 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.463 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 16.8 mttp -130.41 146.66 52.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -109.25 -39.94 5.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -88.37 141.32 30.59 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.583 0.706 . . . . 0.0 110.849 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -4.59 14.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.33 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -85.75 -36.99 19.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.902 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.421 ' C ' ' HD3' ' A' ' 44' ' ' LYS . 21.7 p -63.42 -38.8 92.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.424 ' N ' HD21 ' A' ' 50' ' ' LEU . 1.4 mm? -45.17 153.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.43 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 72.1 p -118.59 -178.35 3.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -62.4 -39.25 92.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -69.82 -53.49 17.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -60.49 -34.03 73.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' A' ' 51' ' ' THR . 20.4 t -63.77 -51.46 69.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.8 mtp85 -59.85 -34.96 73.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -72.26 -55.29 7.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -51.72 -51.49 55.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -60.58 -54.51 44.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 59' ' ' ALA . 36.9 mtp180 -34.75 -50.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 60' ' ' ARG . 32.9 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.797 0.332 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -100.24 -39.87 7.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -63.43 -34.42 77.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.2 -49.31 77.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 mp -71.82 -48.96 42.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.569 ' CD1' HG13 ' A' ' 55' ' ' VAL . 2.1 t80 -47.53 -53.88 13.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -50.36 -57.2 8.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -50.76 -52.36 41.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.0 mt -55.7 -52.91 62.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.5 t -110.9 81.31 2.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.58 0.705 . . . . 0.0 111.186 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 153.19 69.24 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.323 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.444 ' HG ' ' CG ' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -119.54 110.23 16.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.0 m -131.43 -36.57 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -85.72 21.38 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.64 9.64 45.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.7 p -153.93 122.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.809 0.338 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.444 ' CG ' ' HG ' ' A' ' 22' ' ' LEU . 95.6 mtt180 -82.45 144.96 30.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -158.48 138.84 12.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -72.14 163.26 28.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.6 t -119.39 164.45 15.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -49.62 -33.45 15.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.6 mt -70.75 -54.31 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -58.29 -51.51 69.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 37' ' ' LEU . 5.0 mt -52.0 -66.66 0.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 t -38.5 -35.97 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -77.46 -39.64 45.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.543 HD21 ' CD1' ' A' ' 58' ' ' PHE . 26.5 mt -64.79 -34.57 78.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -53.52 -50.06 66.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -47.6 -46.18 28.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.6 mt -63.86 -25.44 68.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.47 21.45 24.4 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 56.1 mt -97.38 97.69 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.379 . . . . 0.0 111.11 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -82.5 52.05 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.405 ' NZ ' ' OE2' ' A' ' 54' ' ' GLU . 21.9 mttp -118.73 111.3 18.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -93.1 43.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.422 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 4.6 t70 -157.63 141.0 11.13 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.619 0.724 . . . . 0.0 110.838 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 46' ' ' ASP . 54.1 Cg_endo -69.77 -20.42 34.82 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.328 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.8 m -87.89 -41.66 13.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.1 p -57.34 -17.96 14.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 mp -85.95 147.51 26.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 54' ' ' GLU . 66.8 p -107.41 160.32 15.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -38.61 -51.55 1.64 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -54.9 -42.21 71.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 51' ' ' THR . 75.7 mt-10 -73.93 -29.86 62.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.569 HG13 ' CD1' ' A' ' 16' ' ' TYR . 89.0 t -69.97 -52.12 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -60.59 -37.43 81.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -60.67 -48.6 81.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.543 ' CD1' HD21 ' A' ' 37' ' ' LEU . 26.7 t80 -59.37 -43.5 92.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.9 95.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.12 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -38.45 -48.85 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.1 m . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.816 0.341 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -75.79 -54.06 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -38.57 -56.73 1.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.96 -52.66 48.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.105 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.0 mt -54.61 -43.44 72.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -60.9 -58.64 7.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -50.24 -47.48 55.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -61.31 -46.51 89.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.8 mt -59.91 -51.92 67.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 56.5 t -121.92 79.37 41.44 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.618 0.723 . . . . 0.0 111.089 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 154.8 67.54 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.7 2.267 . . . . 0.0 112.396 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.456 HD13 ' N ' ' A' ' 23' ' ' VAL . 0.1 OUTLIER -76.66 119.63 20.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.456 ' N ' HD13 ' A' ' 22' ' ' LEU . 12.0 m -131.49 133.41 61.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 54.97 37.11 28.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.62 34.86 71.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 27' ' ' ARG . 14.1 p -166.93 141.01 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.799 0.333 . . . . 0.0 111.161 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.447 ' CB ' ' HG3' ' A' ' 47' ' ' PRO . 65.3 mtm180 -113.79 142.85 45.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -150.69 127.94 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -57.53 162.48 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.3 m -105.01 163.62 12.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -52.86 -37.63 60.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.3 mt -73.12 -42.08 58.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -63.54 -36.02 82.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 37' ' ' LEU . 5.3 mt -72.61 -65.31 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 t -42.07 -36.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -79.27 -30.27 42.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.542 HD23 ' CD1' ' A' ' 58' ' ' PHE . 12.0 mt -69.12 -41.36 77.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -43.07 -48.27 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.23 -51.9 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.6 mt -60.69 -32.04 71.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.7 25.2 8.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 97.7 mt -95.99 93.1 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 111.177 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -80.67 44.45 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -111.7 145.55 39.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.6 p -109.13 -44.84 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.424 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 9.2 t70 -75.49 140.12 71.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.603 0.716 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.447 ' HG3' ' CB ' ' A' ' 27' ' ' ARG . 53.7 Cg_endo -69.79 -11.0 29.9 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -86.76 -42.26 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.4 p -51.92 -44.51 63.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mp -56.27 141.82 39.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -105.1 159.27 15.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -40.79 -48.53 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -51.07 -37.98 48.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -84.22 -35.03 23.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.09 -47.21 90.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -62.23 -42.86 99.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -66.23 -59.14 4.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.542 ' CD1' HD23 ' A' ' 37' ' ' LEU . 38.9 t80 -46.71 -52.87 12.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.13 -49.35 76.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 -38.65 -37.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.7 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.3 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.818 0.342 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -101.14 -34.42 9.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -56.76 -27.31 59.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.491 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -65.94 -41.9 90.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.067 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.458 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -47.41 -38.07 12.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.565 ' CE1' HG11 ' A' ' 55' ' ' VAL . 2.7 m-85 -61.37 -61.97 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -37.96 -32.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.908 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 16' ' ' TYR . 58.3 mtt180 -89.18 -44.83 10.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.5 mt -60.17 -58.82 6.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.8 79.03 1.34 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.658 0.742 . . . . 0.0 111.158 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 175.03 8.66 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.32 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 26' ' ' VAL . 11.2 tp -123.14 103.5 8.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.9 m -116.28 -29.42 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -96.63 -31.99 12.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.16 17.65 2.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.496 ' C ' ' CD1' ' A' ' 22' ' ' LEU . 6.2 p -155.75 122.04 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.342 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 -79.55 81.17 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -110.49 141.92 42.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -66.25 -178.66 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.483 ' N ' ' OE1' ' A' ' 33' ' ' GLN . 2.9 m -135.93 159.68 40.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -39.04 -39.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.3 mt -63.21 -55.84 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.483 ' OE1' ' N ' ' A' ' 30' ' ' SER . 46.3 mt-30 -57.82 -52.75 64.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 36' ' ' ARG . 4.8 mt -51.98 -67.46 0.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' LEU . 2.8 t -36.82 -29.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 34' ' ' LEU . 74.2 mtt180 -85.69 -46.82 10.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' LEU . 15.3 mt -57.82 -35.05 70.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -60.58 -49.98 75.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -46.82 -51.66 16.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.4 mt -59.12 -33.3 70.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.74 23.42 6.84 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 58.0 mt -97.93 100.86 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.837 0.351 . . . . 0.0 111.149 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -80.49 50.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.412 ' HD3' ' C ' ' A' ' 49' ' ' THR . 25.7 mttp -120.58 131.24 54.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.5 p -112.52 33.92 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -151.83 138.79 12.17 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.6 0.714 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 0.17 6.04 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.26 . . . . 0.0 112.312 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.1 m -103.95 -41.93 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.412 ' C ' ' HD3' ' A' ' 44' ' ' LYS . 75.6 p -60.25 -23.54 64.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.123 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 mp -74.67 133.73 42.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 52' ' ' GLU . 14.7 t -92.34 155.46 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' THR . 31.8 mt-10 -34.28 -51.81 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -49.43 -47.91 47.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.812 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 51' ' ' THR . 0.3 OUTLIER -72.72 -37.6 67.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.565 HG11 ' CE1' ' A' ' 16' ' ' TYR . 87.4 t -56.33 -51.41 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.447 ' O ' ' CG ' ' A' ' 60' ' ' ARG . 87.1 mtt180 -55.56 -46.47 77.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -64.83 -61.86 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -47.89 -51.42 23.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.81 -45.83 90.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.12 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 8.8 mmt85 -44.45 -39.93 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.822 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.6 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.81 0.338 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.08 -35.28 15.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -52.93 -30.73 36.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.14 -35.87 81.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 18' ' ' ARG . 9.7 mt -77.0 -56.9 4.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.472 ' CG ' HG13 ' A' ' 55' ' ' VAL . 8.6 t80 -36.04 -48.77 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -60.54 -41.47 94.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' LEU . 24.0 ttm180 -75.1 -23.45 57.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.483 ' O ' ' NE2' ' A' ' 33' ' ' GLN . 14.6 mt -77.41 -38.38 49.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.434 HG21 ' CE2' ' A' ' 29' ' ' PHE . 35.4 t -131.71 76.77 73.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.604 0.716 . . . . 0.0 111.122 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 167.64 23.84 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.709 2.272 . . . . 0.0 112.323 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.459 ' CG ' ' HG3' ' A' ' 27' ' ' ARG . 1.7 tt -130.73 100.99 5.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 24' ' ' ASN . 35.9 m -120.92 -40.74 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.4 ' N ' HG23 ' A' ' 23' ' ' VAL . 7.2 t-20 -70.19 -0.29 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.412 ' C ' HD22 ' A' ' 22' ' ' LEU . . . 90.47 7.21 67.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.3 p -156.97 115.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.459 ' HG3' ' CG ' ' A' ' 22' ' ' LEU . 19.4 mtp180 -66.08 145.22 56.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -174.87 130.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.434 ' CE2' HG21 ' A' ' 20' ' ' VAL . 66.5 m-85 -62.64 177.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.8 t -116.55 159.45 22.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.811 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.428 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 7.0 pt-20 -50.55 -18.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.7 mm -87.17 -53.67 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 19' ' ' LEU . 79.7 mt-30 -55.55 -46.77 77.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 37' ' ' LEU . 4.5 mt -47.56 -65.76 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' LEU . 3.5 t -37.56 -30.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' LEU . 17.3 mmm-85 -79.52 -43.4 23.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' LEU . 31.4 mt -64.11 -35.48 80.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -71.75 -45.42 61.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -51.09 -46.4 61.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -63.16 -32.44 73.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.969 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.68 14.45 7.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.523 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.469 ' CD1' ' HG2' ' A' ' 54' ' ' GLU . 93.8 mt -92.41 109.58 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.366 . . . . 0.0 111.182 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -87.92 50.39 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -121.11 140.82 51.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.4 p -114.52 -22.71 9.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -101.2 139.66 20.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.563 0.697 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -24.01 30.13 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.9 m -72.24 -26.87 62.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.8 p -90.13 18.84 5.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 50' ' ' LEU . 1.4 mm? -99.42 149.25 23.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -117.49 150.6 38.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' THR . 17.0 mt-10 -36.27 -48.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -50.56 -46.31 57.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.469 ' HG2' ' CD1' ' A' ' 42' ' ' ILE . 53.0 mt-10 -76.1 -54.16 7.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.472 HG13 ' CG ' ' A' ' 16' ' ' TYR . 88.6 t -42.73 -46.2 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -69.92 -34.11 73.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -68.6 -58.76 3.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -44.08 -41.19 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -74.98 -46.97 31.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.08 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 61' ' ' LEU . 22.3 mmt-85 -36.56 -44.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 60' ' ' ARG . 19.9 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.4 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.779 0.324 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.432 ' OD2' ' NH1' ' A' ' 56' ' ' ARG . 12.4 m-20 -71.71 -47.89 50.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -47.62 -55.58 9.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -38.76 -59.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.149 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 16' ' ' TYR . 6.8 mp -46.55 -55.04 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.533 ' CD1' HG11 ' A' ' 55' ' ' VAL . 18.6 t80 -35.43 -60.43 0.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -48.6 -45.37 38.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -61.21 -47.61 85.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.2 mt -58.06 -47.71 82.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.7 t -119.67 80.1 23.42 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.599 0.714 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 161.52 45.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.24 . . . . 0.0 112.321 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.473 HD13 ' NE ' ' A' ' 27' ' ' ARG . 1.4 tt -111.37 121.58 45.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.7 m -135.05 -54.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.094 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -83.53 35.09 0.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 53.55 13.66 3.06 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.9 t -151.48 117.57 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 111.16 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.473 ' NE ' HD13 ' A' ' 22' ' ' LEU . 54.3 mtt180 -84.42 123.8 30.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -138.5 139.77 38.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -65.06 -179.15 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 32' ' ' ILE . 13.4 t -130.55 146.08 52.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' SER . 3.7 pt-20 -35.9 -32.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 30' ' ' SER . 49.9 mt -72.29 -58.31 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -52.97 -57.68 9.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' LEU . 5.6 mt -45.59 -68.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.7 t -38.31 -34.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -79.86 -43.61 21.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' LEU . 24.1 mt -53.67 -39.02 64.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -61.55 -31.66 71.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -47.72 82.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.8 mt -66.26 -28.5 68.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.04 18.75 8.54 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 60.1 mt -92.58 116.8 34.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.896 0.379 . . . . 0.0 111.127 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -98.74 46.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -117.17 139.87 50.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.1 m -107.81 -37.37 6.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -84.96 141.37 37.76 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.577 0.703 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -21.29 33.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.378 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 84.7 p -77.85 -26.66 49.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.5 p -71.06 -36.23 72.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -45.63 151.65 0.39 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 52' ' ' GLU . 9.0 t -126.11 149.24 49.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' THR . 10.6 pt-20 -34.48 -43.3 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -55.88 -52.82 62.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -71.1 -48.04 54.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.533 HG11 ' CD1' ' A' ' 16' ' ' TYR . 96.9 t -43.44 -44.79 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.432 ' NH1' ' OD2' ' A' ' 12' ' ' ASP . 80.9 mtt-85 -60.45 -44.16 96.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -65.76 -55.19 18.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -38.69 -38.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -81.14 -49.65 10.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.066 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' ALA . 2.1 mmp_? -37.11 -62.14 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.8 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.779 0.323 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.35 -42.0 7.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -51.17 -41.22 60.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.52 -55.51 20.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.0 mt -46.84 -46.51 20.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -46.4 -49.72 17.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -48.48 -52.86 20.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.847 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -60.76 -50.55 73.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.5 mt -48.64 -44.07 37.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.5 t -111.9 80.84 3.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.699 0.761 . . . . 0.0 111.17 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 163.94 36.38 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.467 HD13 ' CG ' ' A' ' 27' ' ' ARG . 14.3 tp -122.09 94.44 4.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.7 m -106.86 -42.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -97.82 42.0 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 42.62 39.87 3.62 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.6 p -166.78 123.74 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.467 ' CG ' HD13 ' A' ' 22' ' ' LEU . 99.7 mtt180 -80.97 118.55 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -152.49 153.59 33.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -83.8 178.59 7.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -127.62 163.64 23.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.404 ' CG ' HD11 ' A' ' 32' ' ' ILE . 7.3 pt-20 -46.44 -29.76 1.87 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.404 HD11 ' CG ' ' A' ' 31' ' ' GLU . 5.3 mp -75.33 -61.66 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -48.44 -50.67 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 37' ' ' LEU . 4.8 mt -53.2 -65.49 0.55 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 t -39.26 -36.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -78.74 -38.02 39.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.517 ' HG ' ' CE1' ' A' ' 58' ' ' PHE . 13.9 mt -57.4 -44.72 84.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -60.99 -48.79 80.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -49.51 -50.11 43.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.923 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 mt -62.69 -30.94 71.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.95 21.99 5.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 37.7 mt -103.59 98.74 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 111.115 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -86.37 72.1 10.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.822 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -149.75 148.71 29.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.6 p -112.45 -44.31 3.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.35 135.68 96.36 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.71 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.66 -3.45 11.97 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.373 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.2 m -102.04 -40.26 6.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.7 p -48.81 -47.81 41.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.133 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 mp -49.17 123.58 7.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.0 p -94.23 174.83 6.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -41.25 -43.8 2.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -63.76 -50.49 68.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.1 -42.21 89.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.8 t -61.74 -62.37 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -43.73 -42.73 5.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -68.41 -39.0 81.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.517 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 36.5 t80 -85.53 21.52 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -116.05 -38.71 3.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -60.77 -57.94 10.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.437 HD22 ' N ' ' A' ' 61' ' ' LEU . 2.0 pt? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.505 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.769 0.319 . . . . 0.0 111.092 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.79 -53.65 7.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -54.58 -65.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.46 -19.54 24.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.072 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 11' ' ' THR . 2.9 mm? -79.26 -36.53 39.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.42 ' CG ' HG13 ' A' ' 55' ' ' VAL . 10.7 t80 -71.9 -50.01 32.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -40.15 -45.15 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.7 mtp85 -75.22 -52.42 10.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.437 HD13 ' CD2' ' A' ' 58' ' ' PHE . 14.5 mt -40.51 -43.65 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.3 t -109.68 81.45 1.93 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -177.07 1.69 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.339 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.7 tp -137.29 117.46 13.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.9 m -124.8 -45.94 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -95.04 41.89 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 47.07 25.34 2.5 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.9 p -158.98 123.29 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.85 0.357 . . . . 0.0 111.096 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -74.44 130.42 39.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.38 163.13 40.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.481 ' CE2' HD11 ' A' ' 50' ' ' LEU . 34.8 m-85 -96.92 162.78 13.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.7 p -109.52 165.8 11.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.408 ' CG ' HD11 ' A' ' 32' ' ' ILE . 16.8 pt-20 -50.01 -30.88 11.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.408 HD11 ' CG ' ' A' ' 31' ' ' GLU . 5.3 mp -71.77 -59.11 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -49.26 -50.4 39.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 37' ' ' LEU . 5.1 mt -56.35 -66.09 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -39.14 -26.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 34' ' ' LEU . 76.4 mtt180 -87.57 -39.75 14.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 34' ' ' LEU . 82.8 mt -62.59 -32.22 73.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -65.13 -41.65 94.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -53.79 -50.31 66.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 mt -62.03 -32.06 72.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.79 25.63 7.96 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.454 ' CG2' ' HD2' ' A' ' 44' ' ' LYS . 47.0 mt -77.9 -46.51 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 62.53 38.72 12.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.454 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 43.2 mttm -117.76 131.48 56.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.4 p -119.98 36.1 4.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -148.65 139.78 13.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -4.54 14.2 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.732 2.288 . . . . 0.0 112.372 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.1 t -99.7 -42.08 7.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.3 p -57.71 -41.55 81.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.139 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.481 HD11 ' CE2' ' A' ' 29' ' ' PHE . 3.9 mp -60.76 118.24 6.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 52' ' ' GLU . 43.2 p -96.92 162.61 13.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 51' ' ' THR . 44.2 mt-10 -34.4 -45.58 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.63 -53.22 60.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.75 -37.44 81.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.42 HG13 ' CG ' ' A' ' 16' ' ' TYR . 93.0 t -65.16 -61.41 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 5.9 ptp180 -45.84 -37.07 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 4.9 mtmp? -73.33 -36.73 66.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.437 ' CD2' HD13 ' A' ' 19' ' ' LEU . 42.8 t80 -65.18 -51.57 60.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -57.5 -45.76 84.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 59' ' ' ALA . 11.2 mmm180 -36.34 -48.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.5 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.785 0.326 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -85.52 -40.48 16.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -47.43 -50.4 22.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.29 -65.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.1 mt -39.32 -42.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -45.48 -60.12 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -51.02 -41.78 60.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -63.97 -42.36 97.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.3 mt -62.56 -49.72 74.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.6 t -107.58 78.41 0.69 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.636 0.731 . . . . 0.0 111.13 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 172.63 12.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.723 2.282 . . . . 0.0 112.306 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.469 HD13 ' CG ' ' A' ' 27' ' ' ARG . 12.6 tp -130.95 94.03 3.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.1 m -109.57 -46.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.143 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -79.57 -32.35 42.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.53 20.16 1.98 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.465 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.46 ' N ' HD11 ' A' ' 22' ' ' LEU . 42.4 t -147.03 124.46 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 111.115 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.469 ' CG ' HD13 ' A' ' 22' ' ' LEU . 45.3 mtt180 -83.05 37.53 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.458 ' HG3' ' CG1' ' A' ' 26' ' ' VAL . 12.0 mt-10 -86.03 129.53 34.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -49.72 176.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 t -117.12 157.42 25.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.468 ' CG ' HD12 ' A' ' 32' ' ' ILE . 7.6 pt-20 -43.42 -36.0 1.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.468 HD12 ' CG ' ' A' ' 31' ' ' GLU . 5.2 mp -69.58 -48.78 63.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -61.11 -40.77 95.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' LEU . 3.8 mt -66.13 -60.8 2.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -43.51 -39.78 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -79.68 -24.68 41.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.539 HD23 ' CD1' ' A' ' 58' ' ' PHE . 3.6 mt -72.01 -42.22 66.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -43.92 -50.15 8.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -43.71 -51.61 7.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.461 ' CD1' HD22 ' A' ' 61' ' ' LEU . 19.3 mt -61.8 -32.07 72.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.29 22.07 8.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 80.6 mt -92.26 89.94 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.883 0.373 . . . . 0.0 111.08 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -79.54 45.86 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -115.25 155.41 27.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.6 p -124.16 -34.58 2.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -83.09 137.39 43.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.713 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 1.97 3.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.7 m -98.27 -44.25 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.1 p -53.8 -38.69 64.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mp -58.72 129.75 43.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 52' ' ' GLU . 15.1 t -100.3 162.92 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' THR . 12.9 pt-20 -36.04 -45.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -56.44 -63.05 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -38.45 69.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.68 -59.7 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 11.2 ptp180 -55.34 -37.55 67.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 22.9 mtpp -67.21 -51.67 50.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.539 ' CD1' HD23 ' A' ' 37' ' ' LEU . 32.2 t80 -52.13 -38.38 57.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.75 96.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 61' ' ' LEU . 31.3 mtp180 -43.75 -48.16 8.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.461 HD22 ' CD1' ' A' ' 40' ' ' LEU . 4.3 mm? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.825 0.345 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.28 -34.09 44.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.469 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 22.4 tttp -65.19 -58.39 6.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.04 -35.27 33.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.3 mt -73.98 -27.23 60.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -75.31 -36.74 61.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 13' ' ' LYS . 41.9 m-80 -67.15 -51.72 50.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.472 ' CG ' ' N ' ' A' ' 19' ' ' LEU . 21.6 ptt85 -59.75 -46.4 89.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.472 ' N ' ' CG ' ' A' ' 18' ' ' ARG . 25.0 mt -58.61 -40.84 84.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.2 t -117.16 81.23 12.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.642 0.734 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 178.15 4.86 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.714 2.276 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.8 tp -127.35 111.4 13.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.4 m -127.76 -43.4 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -83.44 6.79 18.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.64 0.88 90.38 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.512 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.9 p -148.09 117.09 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -57.33 127.25 31.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -151.11 133.89 15.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -67.01 172.97 3.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.0 t -127.19 166.86 16.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -48.1 -26.31 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mp -75.25 -61.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -51.66 -51.68 53.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' LEU . 4.8 mt -54.18 -67.13 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' LEU . 4.1 t -37.35 -32.37 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 34' ' ' LEU . 30.8 mtt-85 -80.87 -45.12 17.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 34' ' ' LEU . 18.6 mt -59.71 -38.33 81.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -47.26 -46.42 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.929 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.94 -50.82 63.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.92 -29.01 68.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.929 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.89 22.87 14.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.484 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 33.7 mt -96.07 102.16 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -86.62 51.01 2.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -115.68 107.18 14.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.8 m -89.68 35.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.143 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.41 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 1.7 t70 -154.82 141.04 12.96 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.621 0.724 . . . . 0.0 110.872 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.41 ' HD2' ' CG ' ' A' ' 46' ' ' ASP . 53.6 Cg_endo -69.8 -27.13 26.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.619 2.213 . . . . 0.0 112.338 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.1 m -68.18 -49.8 58.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.4 p -54.26 -53.41 54.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.096 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 mp -43.45 125.67 4.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 52' ' ' GLU . 25.9 p -99.08 162.53 13.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 51' ' ' THR . 12.3 mt-10 -34.49 -46.17 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -57.73 -52.41 65.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.43 -36.3 83.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 84.3 t -64.12 -58.07 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.1 ptm85 -58.85 -42.36 89.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -58.87 -38.47 78.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -71.88 -47.37 53.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.52 -34.53 36.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.8 mtp85 -59.24 -43.06 92.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.2 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.954 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.744 0.307 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -91.81 -35.54 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -57.57 -38.69 75.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.57 -56.54 20.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' TYR . 7.2 mp -59.47 -53.64 55.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.549 ' CD1' HG12 ' A' ' 55' ' ' VAL . 3.8 t80 -35.15 -48.44 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -52.4 -56.4 15.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -54.77 -49.86 69.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.27 -46.45 72.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 63.8 t -110.36 79.64 1.72 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.738 . . . . 0.0 111.171 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 158.59 56.41 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.306 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -118.56 106.97 13.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 m -129.8 -39.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -85.73 24.06 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.69 13.63 46.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.458 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.2 p -152.78 128.76 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.179 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.401 ' CG ' ' HG ' ' A' ' 22' ' ' LEU . 86.2 mtt180 -92.09 99.66 12.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -133.3 133.97 43.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -52.33 -179.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.4 t -132.35 158.57 41.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -45.46 -34.73 3.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.9 mm -70.35 -59.32 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.121 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -50.3 -59.57 3.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' LEU . 5.4 mt -40.85 -67.12 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 t -38.6 -35.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.4 mtm180 -79.32 -41.04 28.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.486 HD23 ' CD1' ' A' ' 58' ' ' PHE . 22.7 mt -57.73 -46.78 83.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.02 -54.93 9.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -43.68 -50.1 7.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.6 mt -57.93 -31.12 66.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.6 23.68 11.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.451 ' CG2' ' HB2' ' A' ' 44' ' ' LYS . 43.5 mt -77.17 -53.61 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 0.0 111.137 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 62.46 43.08 8.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.451 ' HB2' ' CG2' ' A' ' 42' ' ' ILE . 33.9 mtmt -135.31 132.08 37.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 77.6 p -115.22 49.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -155.43 130.21 5.04 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 0.85 5.05 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.356 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -103.83 -39.36 6.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.1 p -67.5 -45.32 76.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -51.47 123.18 9.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.9 p -90.66 166.58 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -40.73 -50.57 3.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -53.85 -45.6 70.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.5 -50.61 68.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.549 HG12 ' CD1' ' A' ' 16' ' ' TYR . 86.8 t -54.14 -58.28 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 11.5 ptm180 -49.49 -36.37 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 18.5 mtpp -71.77 -40.34 69.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.49 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 79.0 t80 -83.53 20.53 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.58 -31.12 5.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -91.82 -37.59 12.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.552 ' C ' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.0 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.797 0.332 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -85.63 -33.36 21.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -53.58 -39.63 64.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.87 -44.07 81.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 16' ' ' TYR . 14.3 mt -71.34 -60.76 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.421 ' C ' ' O ' ' A' ' 15' ' ' LEU . 9.2 t80 -36.95 -48.82 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -47.48 -50.71 22.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 19' ' ' LEU . 23.3 ttt85 -62.65 -70.35 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.555 HD22 ' CE2' ' A' ' 58' ' ' PHE . 6.8 mp -33.99 -45.07 0.19 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.4 t -107.33 81.34 1.02 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.672 0.748 . . . . 0.0 111.142 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 161.74 44.75 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.662 2.242 . . . . 0.0 112.38 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 tp -124.52 99.11 6.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.3 m -117.16 -33.15 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -99.88 33.91 2.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 50.54 25.33 8.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.8 t -155.09 120.06 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 111.122 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -77.34 119.29 20.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -152.69 144.51 23.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -69.54 151.03 46.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 32' ' ' ILE . 31.3 t -97.32 153.06 18.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' SER . 10.7 pt-20 -35.61 -31.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 30' ' ' SER . 22.9 mt -71.95 -65.94 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -42.26 -48.54 4.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mt -54.57 -63.74 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 t -38.73 -41.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.443 ' NE ' HG21 ' A' ' 32' ' ' ILE . 2.3 mpt_? -71.95 -65.54 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.57 HD21 ' CD1' ' A' ' 58' ' ' PHE . 40.1 mt -40.93 -35.67 0.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -52.12 -44.42 64.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -53.04 -40.79 64.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.6 mt -72.05 -21.38 61.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.65 18.41 35.34 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 57.6 mt -89.27 92.53 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 111.162 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -83.15 47.93 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -117.66 108.28 15.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.8 m -74.18 -46.73 40.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -71.76 137.97 82.84 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.594 0.711 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -12.68 33.44 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.671 2.247 . . . . 0.0 112.391 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.6 -48.07 12.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.8 p -50.19 -38.48 40.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.8 mp -53.61 141.22 26.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 52' ' ' GLU . 12.3 t -101.28 147.42 26.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' THR . 11.9 pt-20 -35.4 -36.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 51' ' ' THR . 24.3 tt0 -60.71 -60.19 4.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -58.03 -41.79 83.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 85.2 t -52.71 -56.33 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -54.63 -42.43 71.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -61.6 -55.19 33.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.57 ' CD1' HD21 ' A' ' 37' ' ' LEU . 52.9 t80 -56.17 -16.01 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.3 16.31 18.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -102.99 -60.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.1 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.766 0.317 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 13' ' ' LYS . 20.2 p-10 -82.13 -50.14 9.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' ASP . 16.3 mtpp -37.01 -55.26 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.24 -57.43 8.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' TYR . 45.4 mt -50.73 -58.42 5.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' LEU . 9.0 t80 -35.14 -60.48 0.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -42.34 -53.76 4.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -57.76 -45.59 85.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.5 mt -57.59 -46.58 83.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.452 ' CG1' ' HB3' ' A' ' 27' ' ' ARG . 94.3 t -108.76 81.18 1.4 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.696 0.76 . . . . 0.0 111.134 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 156.62 62.9 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.654 2.236 . . . . 0.0 112.34 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.439 ' HG ' ' CG ' ' A' ' 27' ' ' ARG . 1.1 tt -127.2 101.37 6.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.3 m -126.52 -27.34 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -98.89 28.96 4.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.4 11.42 9.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.2 t -151.14 124.31 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.793 0.33 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.452 ' HB3' ' CG1' ' A' ' 20' ' ' VAL . 97.8 mtt180 -88.3 127.38 35.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -155.53 137.65 14.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -63.35 173.41 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -122.98 163.67 19.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -43.78 -30.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.8 mt -74.4 -62.05 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -47.83 -53.64 14.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 37' ' ' LEU . 5.8 mt -48.02 -65.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 t -43.11 -35.3 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -75.55 -32.0 60.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 34' ' ' LEU . 10.5 mt -82.11 -24.65 35.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -64.73 -56.24 14.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -45.25 -49.7 12.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.2 mt -58.37 -33.58 69.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.14 19.04 9.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.4 mt -105.16 98.3 6.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.845 0.355 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -89.93 46.04 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -102.81 89.17 3.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.0 m -58.93 -49.33 78.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -68.62 135.66 90.46 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.589 0.709 . . . . 0.0 110.845 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -13.78 34.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.658 2.238 . . . . 0.0 112.315 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.2 m -81.01 -47.96 12.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.5 p -47.86 -49.12 30.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.2 mp -38.91 140.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 52' ' ' GLU . 61.3 p -114.76 157.86 22.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 51' ' ' THR . 11.1 mt-10 -34.37 -50.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -54.68 -56.12 22.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.29 -47.35 83.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.5 t -54.81 -57.81 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -46.4 -47.25 18.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -62.92 -49.18 75.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -56.05 -48.35 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -54.57 -52.94 60.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 59' ' ' ALA . 61.5 mtt180 -35.47 -52.04 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 60' ' ' ARG . 56.7 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.0 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.765 0.317 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -91.76 -48.22 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -43.71 -51.29 7.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.57 -51.13 66.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.5 mt -57.46 -48.11 80.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -45.64 -58.02 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -40.19 -53.87 2.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -61.22 -47.65 85.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.406 HD11 ' CD2' ' A' ' 58' ' ' PHE . 11.6 mt -52.0 -48.45 64.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.1 t -109.72 80.41 1.64 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.597 0.713 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 168.01 22.77 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.635 2.223 . . . . 0.0 112.336 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.518 ' CD1' ' C ' ' A' ' 26' ' ' VAL . 13.5 tp -128.17 99.12 5.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.5 m -107.89 -34.21 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -105.58 36.45 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 50.96 21.75 5.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.529 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.518 ' C ' ' CD1' ' A' ' 22' ' ' LEU . 92.0 t -147.44 119.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 111.139 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.7 mtt-85 -76.06 134.32 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -156.03 163.7 39.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -92.05 170.39 9.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 31' ' ' GLU . 13.7 t -122.12 152.04 40.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' SER . 8.7 pt-20 -36.0 -40.32 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.403 HG22 ' NH2' ' A' ' 36' ' ' ARG . 49.8 mt -64.81 -62.92 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -46.05 -56.7 5.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.3 mt -48.68 -65.74 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 t -41.77 -35.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.403 ' NH2' HG22 ' A' ' 32' ' ' ILE . 49.1 mtm180 -76.82 -43.49 36.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.3 mt -61.56 -43.63 98.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -45.06 -52.18 9.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -48.17 -47.72 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.0 -31.67 73.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.3 22.33 8.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.9 mt -98.07 97.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -88.2 45.45 1.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.4 mttp -110.74 112.95 25.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 43.5 p -81.36 -33.92 32.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -77.17 125.48 86.55 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.566 0.698 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 2.9 3.14 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.308 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 t -102.94 -38.17 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.7 p -55.92 -53.56 55.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mp -39.53 140.98 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' GLU . 8.0 t -102.47 160.82 14.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -39.46 -43.25 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.43 -41.78 85.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 51' ' ' THR . 42.8 mm-40 -77.25 -33.63 55.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.6 t -66.51 -51.56 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -55.91 -45.36 78.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -61.67 -42.4 98.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.406 ' CD2' HD11 ' A' ' 19' ' ' LEU . 24.7 t80 -55.15 -39.75 69.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.66 -38.39 25.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -40.46 -42.98 1.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.7 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.827 0.346 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.59 -52.28 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -45.2 -46.54 12.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.75 -48.51 29.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.05 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 16' ' ' TYR . 6.3 mp -70.7 -57.12 5.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.499 ' CG ' HG13 ' A' ' 55' ' ' VAL . 3.0 t80 -36.72 -41.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -65.94 -58.87 4.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -52.31 -47.39 65.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.7 mt -58.66 -50.29 74.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.6 t -116.16 81.17 10.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.578 0.704 . . . . 0.0 111.148 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 165.96 29.16 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.447 ' HG ' ' CG ' ' A' ' 27' ' ' ARG . 1.1 tt -129.19 103.32 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.1 m -125.81 -41.23 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -81.62 15.58 2.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.47 1.2 51.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.5 p -140.06 126.92 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.779 0.323 . . . . 0.0 111.153 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.447 ' CG ' ' HG ' ' A' ' 22' ' ' LEU . 95.5 mtt180 -89.09 119.63 29.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -138.14 137.99 38.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.411 ' CZ ' HD12 ' A' ' 50' ' ' LEU . 85.4 m-85 -68.98 -177.75 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.2 m -135.21 157.01 48.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -41.15 -41.8 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.8 mm -64.14 -63.93 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -48.19 -49.02 34.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mt -58.68 -60.14 4.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 t -45.69 -21.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -95.48 -33.23 12.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.9 mt -70.74 -35.43 72.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -49.26 -53.96 19.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -45.81 -49.97 14.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.2 mt -58.11 -27.09 63.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.22 22.34 30.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 44' ' ' LYS . 89.4 mt -80.05 -44.81 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 111.099 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 39.77 53.36 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.463 ' HB2' ' CG2' ' A' ' 42' ' ' ILE . 19.4 mttm -124.67 105.29 9.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.9 p -82.71 44.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -157.59 124.14 2.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.589 0.709 . . . . 0.0 110.854 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 1.73 4.15 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 0.0 112.362 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m -99.77 -37.04 9.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.4 p -65.34 -51.93 57.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.411 HD12 ' CZ ' ' A' ' 29' ' ' PHE . 4.4 mp -41.65 128.02 3.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 52' ' ' GLU . 26.1 p -96.08 160.54 14.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 51' ' ' THR . 28.6 mt-10 -34.52 -50.8 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -55.03 -47.77 74.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 51' ' ' THR . 2.4 mp0 -69.84 -28.89 66.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.499 HG13 ' CG ' ' A' ' 16' ' ' TYR . 89.4 t -70.86 -51.79 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -63.43 -40.22 96.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -63.14 -45.91 89.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -59.65 -33.31 71.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -70.46 -43.31 70.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 59' ' ' ALA . 16.5 mmt180 -35.6 -53.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.4 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 92.2 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.807 0.337 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -104.67 -42.03 5.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -53.22 -41.63 65.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.7 -62.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mp -50.13 -46.8 54.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.484 ' CD1' HG11 ' A' ' 55' ' ' VAL . 4.9 t80 -39.58 -58.63 1.26 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -50.0 -44.34 51.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -62.63 -45.11 94.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.61 -44.85 92.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.8 t -111.7 80.88 3.06 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.71 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 152.24 69.28 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.664 2.243 . . . . 0.0 112.328 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.549 ' CD1' ' C ' ' A' ' 26' ' ' VAL . 12.3 tp -107.22 89.01 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.446 HG21 ' N ' ' A' ' 24' ' ' ASN . 28.1 m -109.69 -30.53 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.446 ' N ' HG21 ' A' ' 23' ' ' VAL . 14.7 m-20 -104.98 37.86 2.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.94 34.32 22.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.549 ' C ' ' CD1' ' A' ' 22' ' ' LEU . 8.1 p -165.94 135.33 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 111.137 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -86.42 37.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -66.57 129.96 41.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -60.87 173.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -118.43 156.0 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -45.19 -36.68 3.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.7 mt -71.52 -51.8 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -56.26 -37.0 69.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 37' ' ' LEU . 4.0 mt -72.89 -60.73 2.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -44.31 -37.47 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -78.51 -29.9 46.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 34' ' ' LEU . 8.0 mt -66.81 -45.52 78.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -44.22 -52.85 7.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.465 ' N ' ' HE2' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -42.33 -50.68 5.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mt -63.6 -32.07 73.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.69 26.33 8.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.0 mt -98.72 85.85 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 111.146 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -70.91 68.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -145.45 129.94 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.2 p -118.62 18.3 13.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.64 133.61 22.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 110.83 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -1.36 8.31 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.1 m -109.82 -37.53 5.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.1 p -59.28 -53.02 63.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.0 mp -44.43 136.29 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 54' ' ' GLU . 8.8 t -104.38 154.95 19.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 53' ' ' GLU . 15.3 pt-20 -36.37 -47.62 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 15.4 tt0 -53.7 -44.85 70.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 51' ' ' THR . 92.7 mt-10 -74.76 -37.8 62.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.484 HG11 ' CD1' ' A' ' 16' ' ' TYR . 92.5 t -58.61 -55.66 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 9.3 ptm180 -52.92 -46.37 68.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 26.6 mtmt -64.24 -45.8 86.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.28 -37.62 86.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.37 -39.45 59.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.3 mtt-85 -55.08 -62.58 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.4 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.764 0.316 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -88.83 -43.35 11.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -50.25 -51.39 44.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.61 -48.61 66.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.31 -43.32 96.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -49.78 -59.2 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -43.38 -54.4 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -59.68 -52.13 66.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.8 mt -52.12 -38.98 59.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.5 t -114.92 80.78 6.95 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 0.0 111.114 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 168.03 22.83 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.677 2.251 . . . . 0.0 112.36 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.84 111.96 23.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.9 m -124.1 131.86 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 56.04 39.04 30.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.19 23.49 59.82 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.8 p -153.47 151.15 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.136 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -109.28 119.04 38.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -135.18 138.76 43.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -72.87 113.19 9.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -59.53 170.55 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -56.64 -43.54 80.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.2 mm -63.39 -34.51 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.488 ' OE1' ' CZ ' ' A' ' 58' ' ' PHE . 5.9 mm100 -70.84 -49.28 47.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 36' ' ' ARG . 4.0 mt -57.54 -64.25 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 34' ' ' LEU . 3.2 t -37.24 -28.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 34' ' ' LEU . 34.6 mtp85 -85.19 -42.62 14.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.556 ' HG ' ' CE1' ' A' ' 58' ' ' PHE . 36.5 mt -61.22 -32.66 72.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 41' ' ' GLY . 21.7 mtmm -65.14 -49.73 68.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -44.09 -49.33 8.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.5 mt -63.82 -25.74 68.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 95.26 18.38 33.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.461 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.458 ' CG2' ' HE2' ' A' ' 44' ' ' LYS . 44.6 mt -69.51 -50.67 48.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 111.089 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 62.12 41.45 10.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.458 ' HE2' ' CG2' ' A' ' 42' ' ' ILE . 20.8 mtmm -127.76 109.05 11.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 79.4 p -94.55 29.5 2.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -136.43 130.59 18.13 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.655 0.74 . . . . 0.0 110.854 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -2.65 10.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.331 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -104.85 -30.12 10.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.436 ' O ' ' CD ' ' A' ' 44' ' ' LYS . 70.7 p -75.03 -12.92 60.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -83.52 133.33 34.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 52' ' ' GLU . 14.6 t -102.01 160.52 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' THR . 37.2 mt-10 -37.87 -40.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -61.17 -50.33 73.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.32 -26.26 62.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.6 t -73.01 -51.33 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 24.0 ptt180 -59.52 -42.95 93.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 20.1 mtpp -65.01 -45.23 86.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.556 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 8.6 t80 -64.2 -42.68 96.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.84 -38.59 86.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -40.69 -49.58 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.0 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.737 0.303 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.27 -44.06 11.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -64.04 -44.34 92.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.04 -57.86 5.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' TYR . 9.5 mp -63.72 -48.06 78.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.434 ' C ' ' O ' ' A' ' 15' ' ' LEU . 3.7 t80 -35.98 -42.87 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -63.42 -54.11 41.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.1 mtp85 -56.28 -37.71 70.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.451 ' O ' ' NE2' ' A' ' 33' ' ' GLN . 8.5 mt -66.64 -52.18 47.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.3 t -109.8 74.86 0.78 Allowed Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.582 0.706 . . . . 0.0 111.1 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 161.35 46.27 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.453 ' CD1' ' N ' ' A' ' 26' ' ' VAL . 6.4 tp -102.86 98.06 8.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.442 HG22 ' N ' ' A' ' 24' ' ' ASN . 29.4 m -104.45 -52.39 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.442 ' N ' HG22 ' A' ' 23' ' ' VAL . 26.3 m120 -99.64 40.65 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.83 15.29 12.28 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.453 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 51.8 t -133.69 135.18 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -91.97 33.6 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.45 ' CG ' HG11 ' A' ' 26' ' ' VAL . 11.0 pt-20 -78.03 127.8 32.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -50.64 171.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 t -106.43 164.34 12.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -49.6 -34.39 17.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.4 mt -71.77 -52.59 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 19' ' ' LEU . 92.9 mt-30 -54.25 -52.68 60.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 35' ' ' SER . 5.2 mt -47.94 -67.46 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' LEU . 2.3 t -38.17 -35.06 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -77.84 -49.84 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.7 mt -51.51 -35.94 42.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -64.7 -28.02 69.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.83 -48.81 67.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.64 -32.95 74.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.62 23.29 6.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 65.0 mt -93.6 88.47 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.348 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -72.83 67.69 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.0 mttt -135.81 167.94 20.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.8 p -132.15 -39.41 1.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -89.7 142.71 29.47 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.542 0.687 . . . . 0.0 110.943 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -21.2 33.74 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 95.2 p -70.57 -37.35 73.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.3 p -67.23 -30.1 69.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.415 ' CD1' ' HB3' ' A' ' 54' ' ' GLU . 3.5 mm? -54.5 145.06 19.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.1 p -109.32 168.97 9.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -52.09 -40.53 61.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.407 ' HG2' ' NZ ' ' A' ' 57' ' ' LYS . 7.5 tt0 -62.93 -50.12 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.493 ' CD ' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -64.69 -37.35 87.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.13 -59.01 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -54.39 -24.68 20.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.407 ' NZ ' ' HG2' ' A' ' 53' ' ' GLU . 19.7 mtmm -83.63 -49.14 9.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -64.21 -23.67 67.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.72 -9.01 58.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.462 ' HG2' ' N ' ' A' ' 61' ' ' LEU . 2.4 ptm180 -89.99 -35.5 15.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.462 ' N ' ' HG2' ' A' ' 60' ' ' ARG . 4.2 mm? . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.5 m . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.793 0.33 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -81.48 -57.93 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -42.16 -52.88 4.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.37 92.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -60.19 -51.05 71.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -61.98 -52.29 64.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -49.07 -40.46 31.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -76.73 -46.08 26.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.1 mt -46.24 -50.1 16.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -108.39 82.08 1.52 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.647 0.736 . . . . 0.0 111.107 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 149.74 67.2 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.685 2.256 . . . . 0.0 112.369 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.474 HD21 ' N ' ' A' ' 27' ' ' ARG . 1.3 tm? -124.85 102.62 7.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.42 HG21 ' N ' ' A' ' 24' ' ' ASN . 17.1 m -130.59 -31.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.42 ' N ' HG21 ' A' ' 23' ' ' VAL . 39.1 m-20 -82.7 -9.05 59.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.7 12.82 52.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.41 ' C ' ' CD2' ' A' ' 22' ' ' LEU . 11.3 t -147.12 107.42 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.133 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.474 ' N ' HD21 ' A' ' 22' ' ' LEU . 73.6 mtt180 -75.93 115.02 15.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -147.73 143.74 27.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -67.39 171.14 6.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 t -103.75 166.32 10.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -49.59 -52.77 27.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 mm -60.78 -44.76 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.165 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.456 ' O ' ' CD1' ' A' ' 37' ' ' LEU . 67.0 mt-30 -58.43 -34.59 70.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' LEU . 6.3 mt -77.24 -66.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t -44.43 -31.26 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -82.7 -29.27 29.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 34' ' ' LEU . 5.6 mt -73.81 -38.34 64.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -45.19 -51.71 10.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.12 -53.25 6.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 mt -59.56 -30.3 68.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.95 23.78 11.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.476 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 90.6 mt -94.11 86.07 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 111.162 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -79.95 44.99 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -119.04 103.67 9.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 57.6 m -77.06 -46.76 22.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -57.4 126.45 74.77 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.595 0.712 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -3.27 11.69 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.6 m -96.1 -44.35 7.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 34.3 p -53.38 -46.02 69.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.117 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.9 mp -48.55 134.33 15.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.3 p -100.07 179.44 4.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -50.46 -45.24 55.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -60.42 -56.39 22.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -53.75 -43.12 68.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.2 t -64.11 -59.63 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.089 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -45.06 -44.5 10.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -63.8 -65.73 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -40.0 -49.3 2.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -49.53 -51.49 36.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' LEU . 65.7 mtp180 -34.71 -65.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 60' ' ' ARG . 7.7 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -147.5 121.82 9.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.903 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -93.36 128.14 39.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.15 -131.75 1.41 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.2 p -46.06 154.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.866 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.9 p -84.16 99.67 10.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.43 -163.52 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' THR . 52.8 p -98.14 137.54 36.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.929 0.395 . . . . 0.0 110.856 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' SER . 10.5 t 34.87 40.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.091 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -91.05 86.65 6.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.7 m -124.34 -60.41 1.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.69 -47.49 13.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.802 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -41.96 -55.54 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.46 -53.37 30.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 16' ' ' TYR . 33.8 mt -55.73 -50.29 70.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' LEU . 7.4 t80 -37.11 -47.76 0.77 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -55.44 -58.04 9.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -48.94 -51.85 27.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.0 mt -53.95 -56.78 14.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.453 HG23 ' CE1' ' A' ' 29' ' ' PHE . 20.6 t -109.48 81.17 1.72 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 175.39 8.16 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.465 HD13 ' N ' ' A' ' 26' ' ' VAL . 8.1 tp -127.35 97.87 5.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.7 m -122.39 -31.54 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -93.04 11.71 26.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.4 13.34 79.97 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.465 ' N ' HD13 ' A' ' 22' ' ' LEU . 6.3 p -154.48 117.04 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.165 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -74.51 116.58 15.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -147.57 133.17 18.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.453 ' CE1' HG23 ' A' ' 20' ' ' VAL . 23.8 m-85 -56.35 178.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.5 m -126.43 161.04 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -50.62 -20.42 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mp -82.33 -56.01 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -56.49 -48.86 76.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' ARG . 4.8 mt -54.25 -66.47 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 t -38.36 -27.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' LEU . 56.6 mtm180 -86.99 -41.7 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 34' ' ' LEU . 19.1 mt -60.67 -44.81 96.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' CD ' ' O ' ' A' ' 34' ' ' LEU . 0.8 OUTLIER -46.52 -52.14 13.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -43.75 -44.44 6.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.2 mt -69.01 -31.77 70.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.21 19.21 9.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.469 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 58.5 mt -94.74 90.59 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -76.56 64.7 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.835 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.409 ' CD ' HD22 ' A' ' 50' ' ' LEU . 18.2 mttm -128.41 146.72 50.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.4 m -112.9 -47.16 3.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -84.89 143.33 40.09 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 -8.16 22.91 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.723 2.282 . . . . 0.0 112.329 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.9 m -74.75 -52.18 12.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.8 p -57.08 -31.59 65.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.157 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.409 HD22 ' CD ' ' A' ' 44' ' ' LYS . 4.0 mm? -54.96 147.21 15.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' GLU . 9.8 t -123.89 152.84 41.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 51' ' ' THR . 43.2 mt-10 -34.47 -43.1 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -59.84 -46.46 89.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 51' ' ' THR . 6.3 mm-40 -72.02 -43.21 65.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 84.2 t -55.56 -55.9 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -55.53 -34.12 64.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -70.86 -51.94 23.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -57.15 -29.77 63.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.46 -42.18 18.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -49.58 -56.52 9.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.826 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.27 -28.46 7.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -103.14 106.86 17.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.0 mt -118.66 113.41 41.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -81.42 143.92 52.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.883 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 -32.97 17.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.339 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.1 97.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.5 p -117.21 68.46 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.13 103.54 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.0 t -111.84 115.83 29.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.451 ' O ' ' C ' ' A' ' 71' ' ' GLN . 41.1 m95 -90.09 94.29 9.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 70' ' ' TRP . 3.8 mp0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 m -141.99 175.46 9.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.85 0.357 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -118.47 153.7 33.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.43 -159.13 15.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.511 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -94.32 109.93 21.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.911 0.386 . . . . 0.0 110.833 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.0 m -125.43 172.6 9.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.02 55.27 0.56 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.446 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.9 m -114.22 161.97 17.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.937 0.399 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.4 t -88.98 -20.45 24.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 55.2 45.16 26.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.7 m -129.22 -55.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.49 -42.78 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -65.86 -43.52 88.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.25 -59.62 4.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.19 -45.89 89.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -50.04 -59.38 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -45.17 -43.05 9.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -71.56 -39.28 70.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.7 mt -62.45 -44.36 96.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.525 HG21 ' CE1' ' A' ' 29' ' ' PHE . 58.4 t -122.34 80.61 45.47 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.647 0.737 . . . . 0.0 111.125 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 152.22 69.75 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.512 ' CD1' ' N ' ' A' ' 26' ' ' VAL . 6.5 tp -87.22 58.86 5.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.7 m -66.98 146.7 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 51.21 29.53 4.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.407 ' C ' HD13 ' A' ' 22' ' ' LEU . . . 61.02 32.15 79.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.512 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 2.7 p -158.0 113.5 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -79.53 145.18 33.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -171.77 141.16 1.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.551 ' CE2' HD13 ' A' ' 37' ' ' LEU . 20.6 m-85 -65.28 157.55 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.474 ' N ' ' OE1' ' A' ' 33' ' ' GLN . 13.8 t -101.42 154.34 18.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -38.32 -39.73 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.4 mt -71.16 -55.05 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.474 ' OE1' ' N ' ' A' ' 30' ' ' SER . 34.6 mt-30 -50.32 -44.12 54.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 37' ' ' LEU . 4.8 mt -57.29 -64.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 t -43.13 -27.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.7 mtt-85 -84.96 -35.66 21.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.551 HD13 ' CE2' ' A' ' 29' ' ' PHE . 29.8 mt -66.24 -38.27 87.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -66.63 -43.54 84.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -53.97 -46.46 71.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.7 mt -62.68 -32.1 73.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.57 23.54 7.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.463 ' CG2' ' HD2' ' A' ' 44' ' ' LYS . 87.2 mt -80.09 -49.55 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 0.0 111.108 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.3 m80 62.98 49.98 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.463 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 16.8 mttp -130.41 146.66 52.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -109.25 -39.94 5.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -88.37 141.32 30.59 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.583 0.706 . . . . 0.0 110.849 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -4.59 14.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.33 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -85.75 -36.99 19.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.902 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.421 ' C ' ' HD3' ' A' ' 44' ' ' LYS . 21.7 p -63.42 -38.8 92.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.424 ' N ' HD21 ' A' ' 50' ' ' LEU . 1.4 mm? -45.17 153.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.43 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 72.1 p -118.59 -178.35 3.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -62.4 -39.25 92.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -69.82 -53.49 17.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -60.49 -34.03 73.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' A' ' 51' ' ' THR . 20.4 t -63.77 -51.46 69.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.8 mtp85 -59.85 -34.96 73.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -72.26 -55.29 7.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -51.72 -51.49 55.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -60.58 -54.51 44.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 59' ' ' ALA . 36.9 mtp180 -34.75 -50.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 60' ' ' ARG . 32.9 mt -35.73 -50.31 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -95.3 107.28 19.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.8 mt -109.24 112.35 40.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.25 143.93 32.23 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.612 0.72 . . . . 0.0 110.853 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -28.02 25.75 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.649 2.233 . . . . 0.0 112.359 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.87 -38.26 90.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 51.6 p -117.04 68.39 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.491 HG23 ' CE2' ' A' ' 70' ' ' TRP . 19.3 mm -93.06 101.36 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.172 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.1 m -95.31 83.97 3.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.491 ' CE2' HG23 ' A' ' 68' ' ' ILE . 3.6 m-90 -54.06 97.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.3 p -43.42 163.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.6 m -109.15 -51.06 2.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.74 98.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 m -102.35 40.66 1.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.825 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.0 t -95.64 111.19 23.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.55 140.94 1.12 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -101.21 106.98 18.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.907 0.384 . . . . 0.0 110.896 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 11' ' ' THR . 8.9 t -119.35 -42.8 2.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -51.65 90.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 9' ' ' THR . 18.3 p -133.64 -66.93 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -100.24 -39.87 7.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -63.43 -34.42 77.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.2 -49.31 77.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 mp -71.82 -48.96 42.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.569 ' CD1' HG13 ' A' ' 55' ' ' VAL . 2.1 t80 -47.53 -53.88 13.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -50.36 -57.2 8.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -50.76 -52.36 41.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.0 mt -55.7 -52.91 62.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.5 t -110.9 81.31 2.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.58 0.705 . . . . 0.0 111.186 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 153.19 69.24 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.323 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.444 ' HG ' ' CG ' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -119.54 110.23 16.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.0 m -131.43 -36.57 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -85.72 21.38 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.64 9.64 45.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.7 p -153.93 122.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.809 0.338 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.444 ' CG ' ' HG ' ' A' ' 22' ' ' LEU . 95.6 mtt180 -82.45 144.96 30.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -158.48 138.84 12.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -72.14 163.26 28.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.6 t -119.39 164.45 15.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -49.62 -33.45 15.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.6 mt -70.75 -54.31 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -58.29 -51.51 69.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 37' ' ' LEU . 5.0 mt -52.0 -66.66 0.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 t -38.5 -35.97 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -77.46 -39.64 45.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.543 HD21 ' CD1' ' A' ' 58' ' ' PHE . 26.5 mt -64.79 -34.57 78.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -53.52 -50.06 66.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -47.6 -46.18 28.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.6 mt -63.86 -25.44 68.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.47 21.45 24.4 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 56.1 mt -97.38 97.69 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.379 . . . . 0.0 111.11 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -82.5 52.05 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.405 ' NZ ' ' OE2' ' A' ' 54' ' ' GLU . 21.9 mttp -118.73 111.3 18.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -93.1 43.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.422 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 4.6 t70 -157.63 141.0 11.13 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.619 0.724 . . . . 0.0 110.838 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 46' ' ' ASP . 54.1 Cg_endo -69.77 -20.42 34.82 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.328 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.8 m -87.89 -41.66 13.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.1 p -57.34 -17.96 14.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 mp -85.95 147.51 26.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 54' ' ' GLU . 66.8 p -107.41 160.32 15.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -38.61 -51.55 1.64 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -54.9 -42.21 71.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 51' ' ' THR . 75.7 mt-10 -73.93 -29.86 62.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.569 HG13 ' CD1' ' A' ' 16' ' ' TYR . 89.0 t -69.97 -52.12 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -60.59 -37.43 81.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -60.67 -48.6 81.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.543 ' CD1' HD21 ' A' ' 37' ' ' LEU . 26.7 t80 -59.37 -43.5 92.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.9 95.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.12 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -38.45 -48.85 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.4 mt -39.83 -48.89 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -103.12 113.25 26.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.9 mt -108.55 87.99 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -63.43 144.01 97.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.65 0.738 . . . . 0.0 110.826 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -28.8 24.6 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.37 97.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.9 p -117.32 68.49 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.116 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 26.0 mt -83.31 151.79 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.5 p -120.81 100.93 7.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -78.52 -40.07 36.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -81.68 42.15 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 110.859 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m 40.48 42.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.17 80.49 0.36 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m -75.98 84.54 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.4 m -101.08 135.57 42.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.39 112.81 4.73 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m -158.91 157.91 32.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.968 0.413 . . . . 0.0 110.85 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.8 t -82.49 40.54 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -98.8 44.02 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.1 m -79.35 -61.23 2.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -75.79 -54.06 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -38.57 -56.73 1.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.96 -52.66 48.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.105 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.0 mt -54.61 -43.44 72.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -60.9 -58.64 7.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -50.24 -47.48 55.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -61.31 -46.51 89.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.8 mt -59.91 -51.92 67.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 56.5 t -121.92 79.37 41.44 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.618 0.723 . . . . 0.0 111.089 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 154.8 67.54 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.7 2.267 . . . . 0.0 112.396 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.456 HD13 ' N ' ' A' ' 23' ' ' VAL . 0.1 OUTLIER -76.66 119.63 20.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.456 ' N ' HD13 ' A' ' 22' ' ' LEU . 12.0 m -131.49 133.41 61.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 54.97 37.11 28.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.62 34.86 71.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 27' ' ' ARG . 14.1 p -166.93 141.01 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.799 0.333 . . . . 0.0 111.161 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.447 ' CB ' ' HG3' ' A' ' 47' ' ' PRO . 65.3 mtm180 -113.79 142.85 45.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -150.69 127.94 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -57.53 162.48 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.3 m -105.01 163.62 12.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -52.86 -37.63 60.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.3 mt -73.12 -42.08 58.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -63.54 -36.02 82.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 37' ' ' LEU . 5.3 mt -72.61 -65.31 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 t -42.07 -36.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -79.27 -30.27 42.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.542 HD23 ' CD1' ' A' ' 58' ' ' PHE . 12.0 mt -69.12 -41.36 77.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -43.07 -48.27 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.23 -51.9 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.6 mt -60.69 -32.04 71.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.7 25.2 8.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 97.7 mt -95.99 93.1 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 111.177 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -80.67 44.45 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -111.7 145.55 39.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.6 p -109.13 -44.84 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.424 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 9.2 t70 -75.49 140.12 71.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.603 0.716 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.447 ' HG3' ' CB ' ' A' ' 27' ' ' ARG . 53.7 Cg_endo -69.79 -11.0 29.9 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -86.76 -42.26 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.4 p -51.92 -44.51 63.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mp -56.27 141.82 39.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -105.1 159.27 15.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -40.79 -48.53 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -51.07 -37.98 48.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -84.22 -35.03 23.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.09 -47.21 90.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -62.23 -42.86 99.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -66.23 -59.14 4.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.542 ' CD1' HD23 ' A' ' 37' ' ' LEU . 38.9 t80 -46.71 -52.87 12.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.13 -49.35 76.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 -38.65 -37.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.7 mt -48.02 -61.48 1.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -66.93 102.43 0.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.1 mt -115.23 117.99 57.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -104.97 145.2 30.27 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.556 0.693 . . . . 0.0 110.925 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.419 ' HA ' ' CG1' ' A' ' 68' ' ' ILE . 53.7 Cg_endo -69.78 -38.0 8.36 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -41.94 -51.37 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 68' ' ' ILE . 4.7 t -64.84 -33.71 76.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.533 HG21 ' CD1' ' A' ' 70' ' ' TRP . 38.7 mm -53.94 104.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.4 m -134.64 41.34 2.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.533 ' CD1' HG21 ' A' ' 68' ' ' ILE . 59.4 p-90 -100.44 -37.7 8.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.427 ' HA ' ' CE3' ' A' ' 70' ' ' TRP . 13.7 pt20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -79.8 -53.09 7.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t 52.81 42.49 31.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.39 107.23 2.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 t -83.18 -47.03 12.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.1 p -151.19 153.36 34.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.39 61.32 0.44 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -110.85 110.65 21.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.899 0.38 . . . . 0.0 110.887 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 t -118.7 175.79 5.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.176 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 52.84 30.28 8.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.3 m -41.25 -50.25 3.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -101.14 -34.42 9.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -56.76 -27.31 59.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.491 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -65.94 -41.9 90.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.067 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.458 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -47.41 -38.07 12.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.565 ' CE1' HG11 ' A' ' 55' ' ' VAL . 2.7 m-85 -61.37 -61.97 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -37.96 -32.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.908 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 16' ' ' TYR . 58.3 mtt180 -89.18 -44.83 10.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.5 mt -60.17 -58.82 6.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.8 79.03 1.34 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.658 0.742 . . . . 0.0 111.158 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 175.03 8.66 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.32 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 26' ' ' VAL . 11.2 tp -123.14 103.5 8.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.9 m -116.28 -29.42 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -96.63 -31.99 12.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.16 17.65 2.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.496 ' C ' ' CD1' ' A' ' 22' ' ' LEU . 6.2 p -155.75 122.04 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.342 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 -79.55 81.17 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -110.49 141.92 42.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -66.25 -178.66 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.483 ' N ' ' OE1' ' A' ' 33' ' ' GLN . 2.9 m -135.93 159.68 40.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -39.04 -39.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.3 mt -63.21 -55.84 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.483 ' OE1' ' N ' ' A' ' 30' ' ' SER . 46.3 mt-30 -57.82 -52.75 64.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 36' ' ' ARG . 4.8 mt -51.98 -67.46 0.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' LEU . 2.8 t -36.82 -29.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 34' ' ' LEU . 74.2 mtt180 -85.69 -46.82 10.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' LEU . 15.3 mt -57.82 -35.05 70.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -60.58 -49.98 75.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -46.82 -51.66 16.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.4 mt -59.12 -33.3 70.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.74 23.42 6.84 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 58.0 mt -97.93 100.86 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.837 0.351 . . . . 0.0 111.149 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -80.49 50.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.412 ' HD3' ' C ' ' A' ' 49' ' ' THR . 25.7 mttp -120.58 131.24 54.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.5 p -112.52 33.92 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -151.83 138.79 12.17 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.6 0.714 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 0.17 6.04 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.26 . . . . 0.0 112.312 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.1 m -103.95 -41.93 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.412 ' C ' ' HD3' ' A' ' 44' ' ' LYS . 75.6 p -60.25 -23.54 64.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.123 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 mp -74.67 133.73 42.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 52' ' ' GLU . 14.7 t -92.34 155.46 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' THR . 31.8 mt-10 -34.28 -51.81 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -49.43 -47.91 47.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.812 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 51' ' ' THR . 0.3 OUTLIER -72.72 -37.6 67.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.565 HG11 ' CE1' ' A' ' 16' ' ' TYR . 87.4 t -56.33 -51.41 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.447 ' O ' ' CG ' ' A' ' 60' ' ' ARG . 87.1 mtt180 -55.56 -46.47 77.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -64.83 -61.86 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -47.89 -51.42 23.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.81 -45.83 90.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.12 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 8.8 mmt85 -44.45 -39.93 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.822 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.7 mt -43.11 -53.45 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -118.02 113.15 21.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 72.7 mt -116.87 123.05 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -71.29 154.5 93.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.615 0.721 . . . . 0.0 110.855 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -14.87 36.75 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.67 2.246 . . . . 0.0 112.329 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.93 -21.24 34.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.3 p -91.02 13.6 16.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.442 HG23 ' NE1' ' A' ' 70' ' ' TRP . 30.1 mm -83.0 76.95 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.9 m -100.98 39.39 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.442 ' NE1' HG23 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -134.27 82.41 1.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.422 ' CD ' ' C ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -142.87 128.62 19.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -164.67 164.12 21.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.84 168.4 27.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 m -121.95 152.51 39.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.841 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.8 p -169.93 175.42 5.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.814 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.98 106.14 0.37 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t -117.02 157.07 26.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.972 0.415 . . . . 0.0 110.817 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.9 t -81.53 -23.84 37.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.126 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -97.94 32.22 2.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.948 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.6 m -41.0 -60.68 1.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.08 -35.28 15.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -52.93 -30.73 36.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.14 -35.87 81.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 18' ' ' ARG . 9.7 mt -77.0 -56.9 4.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.472 ' CG ' HG13 ' A' ' 55' ' ' VAL . 8.6 t80 -36.04 -48.77 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -60.54 -41.47 94.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' LEU . 24.0 ttm180 -75.1 -23.45 57.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.483 ' O ' ' NE2' ' A' ' 33' ' ' GLN . 14.6 mt -77.41 -38.38 49.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.434 HG21 ' CE2' ' A' ' 29' ' ' PHE . 35.4 t -131.71 76.77 73.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.604 0.716 . . . . 0.0 111.122 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 167.64 23.84 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.709 2.272 . . . . 0.0 112.323 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.459 ' CG ' ' HG3' ' A' ' 27' ' ' ARG . 1.7 tt -130.73 100.99 5.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 24' ' ' ASN . 35.9 m -120.92 -40.74 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.4 ' N ' HG23 ' A' ' 23' ' ' VAL . 7.2 t-20 -70.19 -0.29 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.412 ' C ' HD22 ' A' ' 22' ' ' LEU . . . 90.47 7.21 67.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.3 p -156.97 115.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.459 ' HG3' ' CG ' ' A' ' 22' ' ' LEU . 19.4 mtp180 -66.08 145.22 56.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -174.87 130.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.434 ' CE2' HG21 ' A' ' 20' ' ' VAL . 66.5 m-85 -62.64 177.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.8 t -116.55 159.45 22.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.811 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.428 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 7.0 pt-20 -50.55 -18.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.7 mm -87.17 -53.67 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 19' ' ' LEU . 79.7 mt-30 -55.55 -46.77 77.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 37' ' ' LEU . 4.5 mt -47.56 -65.76 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' LEU . 3.5 t -37.56 -30.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' LEU . 17.3 mmm-85 -79.52 -43.4 23.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' LEU . 31.4 mt -64.11 -35.48 80.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -71.75 -45.42 61.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -51.09 -46.4 61.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -63.16 -32.44 73.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.969 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.68 14.45 7.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.523 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.469 ' CD1' ' HG2' ' A' ' 54' ' ' GLU . 93.8 mt -92.41 109.58 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.366 . . . . 0.0 111.182 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -87.92 50.39 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -121.11 140.82 51.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.4 p -114.52 -22.71 9.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -101.2 139.66 20.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.563 0.697 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -24.01 30.13 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.9 m -72.24 -26.87 62.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.8 p -90.13 18.84 5.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 50' ' ' LEU . 1.4 mm? -99.42 149.25 23.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -117.49 150.6 38.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' THR . 17.0 mt-10 -36.27 -48.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -50.56 -46.31 57.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.469 ' HG2' ' CD1' ' A' ' 42' ' ' ILE . 53.0 mt-10 -76.1 -54.16 7.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.472 HG13 ' CG ' ' A' ' 16' ' ' TYR . 88.6 t -42.73 -46.2 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -69.92 -34.11 73.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -68.6 -58.76 3.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -44.08 -41.19 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -74.98 -46.97 31.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.08 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 61' ' ' LEU . 22.3 mmt-85 -36.56 -44.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 60' ' ' ARG . 19.9 mt -35.73 -56.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -109.88 116.82 32.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.4 mt -111.02 119.77 60.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -43.85 149.17 0.67 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.57 0.7 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -33.59 16.27 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.72 2.28 . . . . 0.0 112.317 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.42 -47.51 85.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 68' ' ' ILE . 40.7 p -53.63 -45.54 70.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 67' ' ' THR . 26.0 mm -34.45 123.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.5 m -153.58 128.73 9.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 21.6 m95 -127.3 110.45 12.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.942 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -125.29 173.02 9.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.912 0.387 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -135.02 160.55 37.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.91 -81.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 m -106.71 151.85 24.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.37 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -132.69 171.55 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.79 53.18 2.13 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.0 m -133.41 161.86 33.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.948 0.404 . . . . 0.0 110.87 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.0 t -88.47 36.11 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.1 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -103.2 43.77 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.4 m -100.8 -65.31 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.432 ' OD2' ' NH1' ' A' ' 56' ' ' ARG . 12.4 m-20 -71.71 -47.89 50.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -47.62 -55.58 9.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -38.76 -59.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.149 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 16' ' ' TYR . 6.8 mp -46.55 -55.04 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.533 ' CD1' HG11 ' A' ' 55' ' ' VAL . 18.6 t80 -35.43 -60.43 0.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -48.6 -45.37 38.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -61.21 -47.61 85.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.2 mt -58.06 -47.71 82.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.7 t -119.67 80.1 23.42 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.599 0.714 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 161.52 45.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.24 . . . . 0.0 112.321 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.473 HD13 ' NE ' ' A' ' 27' ' ' ARG . 1.4 tt -111.37 121.58 45.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.7 m -135.05 -54.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.094 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -83.53 35.09 0.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 53.55 13.66 3.06 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.9 t -151.48 117.57 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 111.16 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.473 ' NE ' HD13 ' A' ' 22' ' ' LEU . 54.3 mtt180 -84.42 123.8 30.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -138.5 139.77 38.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -65.06 -179.15 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 32' ' ' ILE . 13.4 t -130.55 146.08 52.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' SER . 3.7 pt-20 -35.9 -32.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 30' ' ' SER . 49.9 mt -72.29 -58.31 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -52.97 -57.68 9.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' LEU . 5.6 mt -45.59 -68.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.7 t -38.31 -34.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -79.86 -43.61 21.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' LEU . 24.1 mt -53.67 -39.02 64.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -61.55 -31.66 71.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -47.72 82.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.8 mt -66.26 -28.5 68.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.04 18.75 8.54 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 60.1 mt -92.58 116.8 34.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.896 0.379 . . . . 0.0 111.127 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -98.74 46.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -117.17 139.87 50.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.1 m -107.81 -37.37 6.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -84.96 141.37 37.76 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.577 0.703 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -21.29 33.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.378 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 84.7 p -77.85 -26.66 49.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.5 p -71.06 -36.23 72.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -45.63 151.65 0.39 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 52' ' ' GLU . 9.0 t -126.11 149.24 49.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' THR . 10.6 pt-20 -34.48 -43.3 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -55.88 -52.82 62.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -71.1 -48.04 54.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.533 HG11 ' CD1' ' A' ' 16' ' ' TYR . 96.9 t -43.44 -44.79 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.432 ' NH1' ' OD2' ' A' ' 12' ' ' ASP . 80.9 mtt-85 -60.45 -44.16 96.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -65.76 -55.19 18.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -38.69 -38.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -81.14 -49.65 10.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.066 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' ALA . 2.1 mmp_? -37.11 -62.14 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.14 -39.07 66.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -78.04 101.31 6.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 78.4 mt -121.53 124.8 72.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -119.56 154.28 54.46 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.585 0.707 . . . . 0.0 110.876 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -39.73 6.21 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.708 2.272 . . . . 0.0 112.346 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -47.21 -55.49 8.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.3 p -50.35 -46.73 55.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.161 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.9 mm -43.78 134.47 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.9 m -127.87 85.21 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -60.39 -53.02 62.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.93 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -121.74 142.94 49.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 p -139.15 160.7 39.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -76.71 -65.58 1.96 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 4' ' ' GLY . 58.6 m -37.19 147.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.891 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 m -71.0 147.23 48.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.41 114.83 0.36 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.8 m -93.43 175.69 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.97 0.414 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.45 HG23 ' N ' ' A' ' 10' ' ' GLN . 9.1 t -66.09 -39.13 89.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.104 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.45 ' N ' HG23 ' A' ' 9' ' ' THR . 6.9 tp60 -59.25 89.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.8 m -127.01 -51.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.35 -42.0 7.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -51.17 -41.22 60.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.52 -55.51 20.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.0 mt -46.84 -46.51 20.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -46.4 -49.72 17.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -48.48 -52.86 20.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.847 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -60.76 -50.55 73.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.5 mt -48.64 -44.07 37.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.5 t -111.9 80.84 3.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.699 0.761 . . . . 0.0 111.17 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 163.94 36.38 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.467 HD13 ' CG ' ' A' ' 27' ' ' ARG . 14.3 tp -122.09 94.44 4.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.7 m -106.86 -42.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -97.82 42.0 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 42.62 39.87 3.62 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.6 p -166.78 123.74 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.467 ' CG ' HD13 ' A' ' 22' ' ' LEU . 99.7 mtt180 -80.97 118.55 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -152.49 153.59 33.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -83.8 178.59 7.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -127.62 163.64 23.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.404 ' CG ' HD11 ' A' ' 32' ' ' ILE . 7.3 pt-20 -46.44 -29.76 1.87 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.404 HD11 ' CG ' ' A' ' 31' ' ' GLU . 5.3 mp -75.33 -61.66 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -48.44 -50.67 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 37' ' ' LEU . 4.8 mt -53.2 -65.49 0.55 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 t -39.26 -36.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -78.74 -38.02 39.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.517 ' HG ' ' CE1' ' A' ' 58' ' ' PHE . 13.9 mt -57.4 -44.72 84.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -60.99 -48.79 80.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -49.51 -50.11 43.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.923 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 mt -62.69 -30.94 71.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.95 21.99 5.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 37.7 mt -103.59 98.74 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 111.115 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -86.37 72.1 10.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.822 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -149.75 148.71 29.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.6 p -112.45 -44.31 3.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.35 135.68 96.36 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.71 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.66 -3.45 11.97 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.373 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.2 m -102.04 -40.26 6.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.7 p -48.81 -47.81 41.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.133 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 mp -49.17 123.58 7.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.0 p -94.23 174.83 6.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -41.25 -43.8 2.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -63.76 -50.49 68.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.1 -42.21 89.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.8 t -61.74 -62.37 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -43.73 -42.73 5.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -68.41 -39.0 81.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.517 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 36.5 t80 -85.53 21.52 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -116.05 -38.71 3.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.439 ' HA ' ' CD1' ' A' ' 63' ' ' ILE . 58.6 mtm180 -60.77 -57.94 10.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.437 HD22 ' N ' ' A' ' 61' ' ' LEU . 2.0 pt? -39.51 -35.21 0.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -83.43 40.92 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.439 ' CD1' ' HA ' ' A' ' 60' ' ' ARG . 78.4 mt -135.86 109.32 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -77.28 146.89 75.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.613 0.72 . . . . 0.0 110.832 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -19.57 35.82 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.718 2.279 . . . . 0.0 112.329 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.98 -48.02 72.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 54.1 p -44.85 -44.01 9.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.427 HG21 ' CE2' ' A' ' 70' ' ' TRP . 4.9 mp -57.74 132.8 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.5 m -102.11 88.5 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.427 ' CE2' HG21 ' A' ' 68' ' ' ILE . 64.0 m95 -78.73 113.65 16.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 p -81.98 175.61 10.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.8 p -154.05 130.44 10.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.18 -127.46 1.2 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.464 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.3 m -72.61 159.5 33.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -129.46 153.76 47.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.04 -69.67 0.31 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.1 m -170.68 106.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.964 0.412 . . . . 0.0 110.871 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 t -125.65 -174.82 3.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.182 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -47.56 116.35 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.505 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -80.0 -75.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.79 -53.65 7.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -54.58 -65.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.46 -19.54 24.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.072 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 11' ' ' THR . 2.9 mm? -79.26 -36.53 39.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.42 ' CG ' HG13 ' A' ' 55' ' ' VAL . 10.7 t80 -71.9 -50.01 32.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -40.15 -45.15 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.7 mtp85 -75.22 -52.42 10.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.437 HD13 ' CD2' ' A' ' 58' ' ' PHE . 14.5 mt -40.51 -43.65 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.3 t -109.68 81.45 1.93 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -177.07 1.69 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.339 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.7 tp -137.29 117.46 13.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.9 m -124.8 -45.94 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -95.04 41.89 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 47.07 25.34 2.5 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.9 p -158.98 123.29 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.85 0.357 . . . . 0.0 111.096 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -74.44 130.42 39.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.38 163.13 40.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.481 ' CE2' HD11 ' A' ' 50' ' ' LEU . 34.8 m-85 -96.92 162.78 13.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.7 p -109.52 165.8 11.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.408 ' CG ' HD11 ' A' ' 32' ' ' ILE . 16.8 pt-20 -50.01 -30.88 11.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.408 HD11 ' CG ' ' A' ' 31' ' ' GLU . 5.3 mp -71.77 -59.11 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -49.26 -50.4 39.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 37' ' ' LEU . 5.1 mt -56.35 -66.09 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -39.14 -26.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 34' ' ' LEU . 76.4 mtt180 -87.57 -39.75 14.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 34' ' ' LEU . 82.8 mt -62.59 -32.22 73.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -65.13 -41.65 94.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -53.79 -50.31 66.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 mt -62.03 -32.06 72.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.79 25.63 7.96 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.454 ' CG2' ' HD2' ' A' ' 44' ' ' LYS . 47.0 mt -77.9 -46.51 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 62.53 38.72 12.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.454 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 43.2 mttm -117.76 131.48 56.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.4 p -119.98 36.1 4.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -148.65 139.78 13.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -4.54 14.2 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.732 2.288 . . . . 0.0 112.372 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.1 t -99.7 -42.08 7.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.3 p -57.71 -41.55 81.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.139 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.481 HD11 ' CE2' ' A' ' 29' ' ' PHE . 3.9 mp -60.76 118.24 6.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 52' ' ' GLU . 43.2 p -96.92 162.61 13.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 51' ' ' THR . 44.2 mt-10 -34.4 -45.58 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.63 -53.22 60.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.75 -37.44 81.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.42 HG13 ' CG ' ' A' ' 16' ' ' TYR . 93.0 t -65.16 -61.41 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 5.9 ptp180 -45.84 -37.07 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 4.9 mtmp? -73.33 -36.73 66.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.437 ' CD2' HD13 ' A' ' 19' ' ' LEU . 42.8 t80 -65.18 -51.57 60.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -57.5 -45.76 84.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 59' ' ' ALA . 11.2 mmm180 -36.34 -48.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 mp -38.26 -50.87 1.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -116.96 107.34 14.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.0 mt -101.41 94.41 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -55.33 145.48 46.99 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.615 0.722 . . . . 0.0 110.846 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.07 20.12 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.6 -15.39 61.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.0 p -96.0 9.72 39.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 28.7 mm -101.92 90.33 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.8 t -125.74 22.41 7.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.169 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.585 ' O ' ' CE3' ' A' ' 70' ' ' TRP . 51.6 p-90 -105.57 87.33 2.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.969 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.5 p -136.22 176.65 8.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.931 0.396 . . . . 0.0 110.835 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 m -139.94 143.15 36.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.819 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.46 177.5 48.45 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -167.2 152.19 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 7' ' ' GLY . 60.6 m -159.9 147.33 16.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.89 71.25 0.15 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.527 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.7 p -104.69 130.23 52.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.845 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.445 HG22 ' N ' ' A' ' 10' ' ' GLN . 10.3 t -120.05 -37.71 3.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.445 ' N ' HG22 ' A' ' 9' ' ' THR . 52.0 mt-30 -70.76 75.77 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.5 m -65.08 -61.83 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -85.52 -40.48 16.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -47.43 -50.4 22.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.29 -65.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.1 mt -39.32 -42.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -45.48 -60.12 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -51.02 -41.78 60.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -63.97 -42.36 97.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.3 mt -62.56 -49.72 74.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.6 t -107.58 78.41 0.69 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.636 0.731 . . . . 0.0 111.13 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 172.63 12.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.723 2.282 . . . . 0.0 112.306 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.469 HD13 ' CG ' ' A' ' 27' ' ' ARG . 12.6 tp -130.95 94.03 3.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.1 m -109.57 -46.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.143 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -79.57 -32.35 42.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.53 20.16 1.98 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.465 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.46 ' N ' HD11 ' A' ' 22' ' ' LEU . 42.4 t -147.03 124.46 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 111.115 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.469 ' CG ' HD13 ' A' ' 22' ' ' LEU . 45.3 mtt180 -83.05 37.53 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.458 ' HG3' ' CG1' ' A' ' 26' ' ' VAL . 12.0 mt-10 -86.03 129.53 34.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -49.72 176.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 t -117.12 157.42 25.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.468 ' CG ' HD12 ' A' ' 32' ' ' ILE . 7.6 pt-20 -43.42 -36.0 1.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.468 HD12 ' CG ' ' A' ' 31' ' ' GLU . 5.2 mp -69.58 -48.78 63.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -61.11 -40.77 95.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' LEU . 3.8 mt -66.13 -60.8 2.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -43.51 -39.78 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -79.68 -24.68 41.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.539 HD23 ' CD1' ' A' ' 58' ' ' PHE . 3.6 mt -72.01 -42.22 66.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -43.92 -50.15 8.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -43.71 -51.61 7.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.461 ' CD1' HD22 ' A' ' 61' ' ' LEU . 19.3 mt -61.8 -32.07 72.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.29 22.07 8.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 80.6 mt -92.26 89.94 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.883 0.373 . . . . 0.0 111.08 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -79.54 45.86 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -115.25 155.41 27.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.6 p -124.16 -34.58 2.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -83.09 137.39 43.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.713 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 1.97 3.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.7 m -98.27 -44.25 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.1 p -53.8 -38.69 64.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mp -58.72 129.75 43.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 52' ' ' GLU . 15.1 t -100.3 162.92 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' THR . 12.9 pt-20 -36.04 -45.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -56.44 -63.05 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -38.45 69.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.68 -59.7 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 11.2 ptp180 -55.34 -37.55 67.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 22.9 mtpp -67.21 -51.67 50.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.539 ' CD1' HD23 ' A' ' 37' ' ' LEU . 32.2 t80 -52.13 -38.38 57.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.75 96.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 61' ' ' LEU . 31.3 mtp180 -43.75 -48.16 8.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.461 HD22 ' CD1' ' A' ' 40' ' ' LEU . 4.3 mm? -36.48 -61.91 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -108.56 114.46 28.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.1 mt -107.47 120.42 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.11 147.61 61.63 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.63 0.729 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -29.86 23.48 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.265 . . . . 0.0 112.328 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -47.56 -56.79 6.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.089 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.5 t -58.73 -16.53 17.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.1 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.441 ' HB ' ' CD1' ' A' ' 70' ' ' TRP . 4.7 mm -86.71 1.52 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.7 m 74.47 24.96 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.441 ' CD1' ' HB ' ' A' ' 68' ' ' ILE . 11.0 m0 -84.12 99.06 10.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 m -159.23 166.6 31.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.874 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -114.99 123.28 48.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.22 -81.08 0.28 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m 37.44 47.4 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.868 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.9 m -117.48 -51.35 2.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.29 44.66 1.19 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.518 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.9 p -99.46 179.71 4.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.0 0.429 . . . . 0.0 110.837 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 t -125.34 -23.73 4.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -46.45 -30.78 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 p -66.05 -73.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.28 -34.09 44.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.469 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 22.4 tttp -65.19 -58.39 6.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.04 -35.27 33.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.3 mt -73.98 -27.23 60.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -75.31 -36.74 61.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 13' ' ' LYS . 41.9 m-80 -67.15 -51.72 50.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.472 ' CG ' ' N ' ' A' ' 19' ' ' LEU . 21.6 ptt85 -59.75 -46.4 89.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.472 ' N ' ' CG ' ' A' ' 18' ' ' ARG . 25.0 mt -58.61 -40.84 84.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.2 t -117.16 81.23 12.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.642 0.734 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 178.15 4.86 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.714 2.276 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.8 tp -127.35 111.4 13.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.4 m -127.76 -43.4 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -83.44 6.79 18.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.64 0.88 90.38 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.512 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.9 p -148.09 117.09 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -57.33 127.25 31.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -151.11 133.89 15.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -67.01 172.97 3.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.0 t -127.19 166.86 16.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -48.1 -26.31 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mp -75.25 -61.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -51.66 -51.68 53.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' LEU . 4.8 mt -54.18 -67.13 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' LEU . 4.1 t -37.35 -32.37 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 34' ' ' LEU . 30.8 mtt-85 -80.87 -45.12 17.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 34' ' ' LEU . 18.6 mt -59.71 -38.33 81.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -47.26 -46.42 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.929 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.94 -50.82 63.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.92 -29.01 68.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.929 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.89 22.87 14.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.484 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 33.7 mt -96.07 102.16 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -86.62 51.01 2.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -115.68 107.18 14.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.8 m -89.68 35.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.143 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.41 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 1.7 t70 -154.82 141.04 12.96 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.621 0.724 . . . . 0.0 110.872 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.41 ' HD2' ' CG ' ' A' ' 46' ' ' ASP . 53.6 Cg_endo -69.8 -27.13 26.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.619 2.213 . . . . 0.0 112.338 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.1 m -68.18 -49.8 58.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.4 p -54.26 -53.41 54.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.096 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 mp -43.45 125.67 4.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 52' ' ' GLU . 25.9 p -99.08 162.53 13.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 51' ' ' THR . 12.3 mt-10 -34.49 -46.17 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -57.73 -52.41 65.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.43 -36.3 83.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 84.3 t -64.12 -58.07 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.1 ptm85 -58.85 -42.36 89.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -58.87 -38.47 78.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -71.88 -47.37 53.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.52 -34.53 36.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.8 mtp85 -59.24 -43.06 92.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.2 mt -54.65 -16.18 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -92.82 40.41 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.3 mt -129.2 88.66 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -41.63 144.96 0.71 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.616 0.722 . . . . 0.0 110.846 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -21.03 34.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.79 -53.59 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 61.5 p -50.42 -51.23 48.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.4 mm -38.3 119.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 t -140.99 121.25 13.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' GLN . 35.9 m95 -103.52 106.57 17.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' TRP . 5.1 pp0? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 p -131.93 146.94 52.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.865 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -60.04 125.89 25.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.02 -43.04 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.428 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -42.63 -57.13 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -162.48 174.16 13.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.99 49.27 63.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.4 t -117.18 102.04 8.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.937 0.399 . . . . 0.0 110.82 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.9 t -87.92 36.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -103.45 43.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 p -82.24 -64.97 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.083 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -91.81 -35.54 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -57.57 -38.69 75.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.57 -56.54 20.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' TYR . 7.2 mp -59.47 -53.64 55.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.549 ' CD1' HG12 ' A' ' 55' ' ' VAL . 3.8 t80 -35.15 -48.44 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -52.4 -56.4 15.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -54.77 -49.86 69.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.27 -46.45 72.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 63.8 t -110.36 79.64 1.72 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.738 . . . . 0.0 111.171 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 158.59 56.41 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.306 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -118.56 106.97 13.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 m -129.8 -39.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -85.73 24.06 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.69 13.63 46.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.458 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.2 p -152.78 128.76 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.179 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.401 ' CG ' ' HG ' ' A' ' 22' ' ' LEU . 86.2 mtt180 -92.09 99.66 12.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -133.3 133.97 43.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -52.33 -179.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.4 t -132.35 158.57 41.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -45.46 -34.73 3.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.9 mm -70.35 -59.32 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.121 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -50.3 -59.57 3.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' LEU . 5.4 mt -40.85 -67.12 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 t -38.6 -35.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.4 mtm180 -79.32 -41.04 28.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.486 HD23 ' CD1' ' A' ' 58' ' ' PHE . 22.7 mt -57.73 -46.78 83.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.02 -54.93 9.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -43.68 -50.1 7.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.6 mt -57.93 -31.12 66.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.6 23.68 11.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.451 ' CG2' ' HB2' ' A' ' 44' ' ' LYS . 43.5 mt -77.17 -53.61 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 0.0 111.137 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 62.46 43.08 8.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.451 ' HB2' ' CG2' ' A' ' 42' ' ' ILE . 33.9 mtmt -135.31 132.08 37.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 77.6 p -115.22 49.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -155.43 130.21 5.04 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 0.85 5.05 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.356 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -103.83 -39.36 6.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.1 p -67.5 -45.32 76.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -51.47 123.18 9.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.9 p -90.66 166.58 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -40.73 -50.57 3.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -53.85 -45.6 70.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.5 -50.61 68.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.549 HG12 ' CD1' ' A' ' 16' ' ' TYR . 86.8 t -54.14 -58.28 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 11.5 ptm180 -49.49 -36.37 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 18.5 mtpp -71.77 -40.34 69.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.49 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 79.0 t80 -83.53 20.53 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.58 -31.12 5.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -91.82 -37.59 12.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.552 ' C ' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -50.0 -18.04 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.462 ' N ' HD11 ' A' ' 61' ' ' LEU . 64.1 t30 -107.71 105.94 16.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.9 mt -127.03 139.13 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.64 159.97 35.38 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.555 0.693 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -24.11 30.25 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.376 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -46.47 -43.84 16.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.6 p -52.07 -44.07 64.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.9 mm -45.65 135.31 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.0 t -152.1 137.78 17.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -132.95 109.53 9.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.968 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 1' ' ' GLY . 37.4 p 34.37 43.19 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.9 0.381 . . . . 0.0 110.846 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.1 p -82.51 -45.04 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.29 160.57 10.19 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -152.27 152.08 31.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.905 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -67.83 93.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.36 105.96 0.68 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 m -83.49 165.07 19.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.5 t -118.12 -36.53 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -85.46 47.98 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.0 p -56.31 -66.8 0.37 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -85.63 -33.36 21.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -53.58 -39.63 64.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.87 -44.07 81.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 16' ' ' TYR . 14.3 mt -71.34 -60.76 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.421 ' C ' ' O ' ' A' ' 15' ' ' LEU . 9.2 t80 -36.95 -48.82 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -47.48 -50.71 22.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 19' ' ' LEU . 23.3 ttt85 -62.65 -70.35 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.555 HD22 ' CE2' ' A' ' 58' ' ' PHE . 6.8 mp -33.99 -45.07 0.19 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.4 t -107.33 81.34 1.02 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.672 0.748 . . . . 0.0 111.142 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 161.74 44.75 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.662 2.242 . . . . 0.0 112.38 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 tp -124.52 99.11 6.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.3 m -117.16 -33.15 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -99.88 33.91 2.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 50.54 25.33 8.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.8 t -155.09 120.06 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 111.122 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -77.34 119.29 20.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -152.69 144.51 23.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -69.54 151.03 46.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 32' ' ' ILE . 31.3 t -97.32 153.06 18.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' SER . 10.7 pt-20 -35.61 -31.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 30' ' ' SER . 22.9 mt -71.95 -65.94 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -42.26 -48.54 4.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mt -54.57 -63.74 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 t -38.73 -41.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.443 ' NE ' HG21 ' A' ' 32' ' ' ILE . 2.3 mpt_? -71.95 -65.54 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.57 HD21 ' CD1' ' A' ' 58' ' ' PHE . 40.1 mt -40.93 -35.67 0.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -52.12 -44.42 64.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -53.04 -40.79 64.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.6 mt -72.05 -21.38 61.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.65 18.41 35.34 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 57.6 mt -89.27 92.53 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 111.162 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -83.15 47.93 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -117.66 108.28 15.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.8 m -74.18 -46.73 40.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -71.76 137.97 82.84 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.594 0.711 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -12.68 33.44 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.671 2.247 . . . . 0.0 112.391 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.6 -48.07 12.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.8 p -50.19 -38.48 40.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.8 mp -53.61 141.22 26.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 52' ' ' GLU . 12.3 t -101.28 147.42 26.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' THR . 11.9 pt-20 -35.4 -36.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 51' ' ' THR . 24.3 tt0 -60.71 -60.19 4.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -58.03 -41.79 83.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 85.2 t -52.71 -56.33 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -54.63 -42.43 71.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -61.6 -55.19 33.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.57 ' CD1' HD21 ' A' ' 37' ' ' LEU . 52.9 t80 -56.17 -16.01 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.3 16.31 18.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -102.99 -60.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -55.39 -32.22 62.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -97.68 101.24 12.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.2 mm -117.24 115.54 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -94.41 144.39 27.89 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 110.863 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 66' ' ' ALA . 54.1 Cg_endo -69.75 -32.67 18.14 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.642 2.228 . . . . 0.0 112.371 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' PRO . . . -37.31 -58.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 81.8 p -59.27 -45.84 90.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.1 mm -48.43 95.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -120.67 10.39 11.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 75.4 m95 39.71 44.01 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -150.53 162.12 41.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.91 0.386 . . . . 0.0 110.836 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.2 p -159.6 171.34 19.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.25 58.06 0.41 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -160.16 106.14 1.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -80.19 102.18 9.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.96 101.99 0.33 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.466 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.1 p -174.27 122.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 0.0 110.833 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.7 t 39.18 36.14 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.17 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.36 24.91 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.1 m -93.9 -57.84 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 13' ' ' LYS . 20.2 p-10 -82.13 -50.14 9.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' ASP . 16.3 mtpp -37.01 -55.26 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.24 -57.43 8.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' TYR . 45.4 mt -50.73 -58.42 5.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' LEU . 9.0 t80 -35.14 -60.48 0.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -42.34 -53.76 4.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -57.76 -45.59 85.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.5 mt -57.59 -46.58 83.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.452 ' CG1' ' HB3' ' A' ' 27' ' ' ARG . 94.3 t -108.76 81.18 1.4 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.696 0.76 . . . . 0.0 111.134 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 156.62 62.9 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.654 2.236 . . . . 0.0 112.34 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.439 ' HG ' ' CG ' ' A' ' 27' ' ' ARG . 1.1 tt -127.2 101.37 6.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.3 m -126.52 -27.34 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -98.89 28.96 4.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.4 11.42 9.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.2 t -151.14 124.31 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.793 0.33 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.452 ' HB3' ' CG1' ' A' ' 20' ' ' VAL . 97.8 mtt180 -88.3 127.38 35.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -155.53 137.65 14.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -63.35 173.41 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -122.98 163.67 19.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -43.78 -30.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.8 mt -74.4 -62.05 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -47.83 -53.64 14.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 37' ' ' LEU . 5.8 mt -48.02 -65.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 t -43.11 -35.3 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -75.55 -32.0 60.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 34' ' ' LEU . 10.5 mt -82.11 -24.65 35.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -64.73 -56.24 14.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -45.25 -49.7 12.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.2 mt -58.37 -33.58 69.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.14 19.04 9.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.4 mt -105.16 98.3 6.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.845 0.355 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -89.93 46.04 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -102.81 89.17 3.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.0 m -58.93 -49.33 78.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -68.62 135.66 90.46 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.589 0.709 . . . . 0.0 110.845 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -13.78 34.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.658 2.238 . . . . 0.0 112.315 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.2 m -81.01 -47.96 12.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.5 p -47.86 -49.12 30.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.2 mp -38.91 140.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 52' ' ' GLU . 61.3 p -114.76 157.86 22.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 51' ' ' THR . 11.1 mt-10 -34.37 -50.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -54.68 -56.12 22.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.29 -47.35 83.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.5 t -54.81 -57.81 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -46.4 -47.25 18.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -62.92 -49.18 75.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -56.05 -48.35 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -54.57 -52.94 60.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 59' ' ' ALA . 61.5 mtt180 -35.47 -52.04 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 60' ' ' ARG . 56.7 mt -36.27 -48.33 0.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -82.16 104.78 12.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.3 mt -111.55 109.96 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -91.63 150.66 41.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.675 0.75 . . . . 0.0 110.844 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 2.85 3.17 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.31 -27.26 7.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 68' ' ' ILE . 1.9 t -98.4 4.92 48.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.432 ' C ' ' O ' ' A' ' 67' ' ' THR . 18.6 mt -34.15 129.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.9 t -115.09 126.02 54.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.164 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 28.5 m95 -100.97 42.28 1.13 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -72.29 -46.63 54.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.855 0.36 . . . . 0.0 110.882 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -103.34 174.06 6.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.62 -44.95 3.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m 51.69 41.78 29.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.827 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 m -100.13 87.88 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.83 58.54 2.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 9' ' ' THR . 14.1 m -112.79 85.1 2.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.931 0.396 . . . . 0.0 110.865 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 8' ' ' SER . 14.5 t 36.25 38.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.089 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -97.51 41.85 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.0 m -88.5 -50.44 6.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -91.76 -48.22 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -43.71 -51.29 7.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.57 -51.13 66.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.5 mt -57.46 -48.11 80.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -45.64 -58.02 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -40.19 -53.87 2.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -61.22 -47.65 85.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.408 HD22 ' ND2' ' A' ' 62' ' ' ASN . 11.6 mt -52.0 -48.45 64.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.1 t -109.72 80.41 1.64 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.597 0.713 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 168.01 22.77 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.635 2.223 . . . . 0.0 112.336 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.518 ' CD1' ' C ' ' A' ' 26' ' ' VAL . 13.5 tp -128.17 99.12 5.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.5 m -107.89 -34.21 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -105.58 36.45 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 50.96 21.75 5.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.529 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.518 ' C ' ' CD1' ' A' ' 22' ' ' LEU . 92.0 t -147.44 119.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 111.139 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.7 mtt-85 -76.06 134.32 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -156.03 163.7 39.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -92.05 170.39 9.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 31' ' ' GLU . 13.7 t -122.12 152.04 40.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' SER . 8.7 pt-20 -36.0 -40.32 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.403 HG22 ' NH2' ' A' ' 36' ' ' ARG . 49.8 mt -64.81 -62.92 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -46.05 -56.7 5.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.3 mt -48.68 -65.74 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 t -41.77 -35.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.403 ' NH2' HG22 ' A' ' 32' ' ' ILE . 49.1 mtm180 -76.82 -43.49 36.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.3 mt -61.56 -43.63 98.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -45.06 -52.18 9.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -48.17 -47.72 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.0 -31.67 73.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.3 22.33 8.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.9 mt -98.07 97.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -88.2 45.45 1.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.4 mttp -110.74 112.95 25.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 43.5 p -81.36 -33.92 32.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -77.17 125.48 86.55 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.566 0.698 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 2.9 3.14 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.308 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 t -102.94 -38.17 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.7 p -55.92 -53.56 55.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mp -39.53 140.98 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' GLU . 8.0 t -102.47 160.82 14.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -39.46 -43.25 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.43 -41.78 85.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 51' ' ' THR . 42.8 mm-40 -77.25 -33.63 55.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.6 t -66.51 -51.56 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -55.91 -45.36 78.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -61.67 -42.4 98.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.406 ' CD2' HD11 ' A' ' 19' ' ' LEU . 24.7 t80 -55.15 -39.75 69.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 62' ' ' ASN . . . -81.66 -38.39 25.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -40.46 -42.98 1.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 pp -83.33 -28.19 29.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 59' ' ' ALA . 8.7 t30 -88.43 45.14 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.2 mm -98.4 99.35 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -78.69 154.41 78.47 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.627 0.727 . . . . 0.0 110.851 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 2.45 3.51 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.83 -11.71 16.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 68' ' ' ILE . 1.9 t -111.97 4.86 18.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.513 HG12 ' CH2' ' A' ' 70' ' ' TRP . 18.6 mt -34.04 126.96 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.1 m -127.09 31.84 5.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.513 ' CH2' HG12 ' A' ' 68' ' ' ILE . 36.9 p90 -127.32 22.18 6.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 -179.944 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -116.38 81.55 1.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.7 p -132.94 151.75 52.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.09 162.54 7.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.3 p -82.96 91.69 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.809 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.8 p -113.34 -42.65 3.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.26 176.63 12.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t -109.96 166.29 11.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.96 0.41 . . . . 0.0 110.843 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.5 t -117.14 38.55 3.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.118 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.11 24.12 1.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.7 m -78.58 -52.3 8.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.185 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.59 -52.28 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -45.2 -46.54 12.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.75 -48.51 29.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.05 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 16' ' ' TYR . 6.3 mp -70.7 -57.12 5.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.499 ' CG ' HG13 ' A' ' 55' ' ' VAL . 3.0 t80 -36.72 -41.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -65.94 -58.87 4.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -52.31 -47.39 65.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.7 mt -58.66 -50.29 74.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.6 t -116.16 81.17 10.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.578 0.704 . . . . 0.0 111.148 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 165.96 29.16 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.447 ' HG ' ' CG ' ' A' ' 27' ' ' ARG . 1.1 tt -129.19 103.32 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.1 m -125.81 -41.23 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -81.62 15.58 2.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.47 1.2 51.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.5 p -140.06 126.92 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.779 0.323 . . . . 0.0 111.153 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.447 ' CG ' ' HG ' ' A' ' 22' ' ' LEU . 95.5 mtt180 -89.09 119.63 29.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -138.14 137.99 38.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.411 ' CZ ' HD12 ' A' ' 50' ' ' LEU . 85.4 m-85 -68.98 -177.75 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.2 m -135.21 157.01 48.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -41.15 -41.8 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.8 mm -64.14 -63.93 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -48.19 -49.02 34.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mt -58.68 -60.14 4.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 t -45.69 -21.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -95.48 -33.23 12.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.9 mt -70.74 -35.43 72.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -49.26 -53.96 19.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -45.81 -49.97 14.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.2 mt -58.11 -27.09 63.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.22 22.34 30.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 44' ' ' LYS . 89.4 mt -80.05 -44.81 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 111.099 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 39.77 53.36 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.463 ' HB2' ' CG2' ' A' ' 42' ' ' ILE . 19.4 mttm -124.67 105.29 9.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.9 p -82.71 44.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -157.59 124.14 2.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.589 0.709 . . . . 0.0 110.854 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 1.73 4.15 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 0.0 112.362 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m -99.77 -37.04 9.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.4 p -65.34 -51.93 57.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.411 HD12 ' CZ ' ' A' ' 29' ' ' PHE . 4.4 mp -41.65 128.02 3.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 52' ' ' GLU . 26.1 p -96.08 160.54 14.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 51' ' ' THR . 28.6 mt-10 -34.52 -50.8 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -55.03 -47.77 74.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 51' ' ' THR . 2.4 mp0 -69.84 -28.89 66.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.499 HG13 ' CG ' ' A' ' 16' ' ' TYR . 89.4 t -70.86 -51.79 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -63.43 -40.22 96.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -63.14 -45.91 89.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -59.65 -33.31 71.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -70.46 -43.31 70.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 59' ' ' ALA . 16.5 mmt180 -35.6 -53.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.4 mt -41.9 -56.51 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -75.87 82.69 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.7 mt -78.8 87.05 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -72.51 150.22 91.32 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.643 0.735 . . . . 0.0 110.9 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 68' ' ' ILE . 53.3 Cg_endo -69.78 -36.28 11.05 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.71 2.274 . . . . 0.0 112.312 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -42.42 -36.1 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.05 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.6 p -71.38 -36.35 71.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.531 HG22 ' CD1' ' A' ' 70' ' ' TRP . 51.0 mm -56.6 97.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.1 44.1 2.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.531 ' CD1' HG22 ' A' ' 68' ' ' ILE . 51.2 p-90 -126.94 27.78 5.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.0 p -95.0 139.71 30.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.872 0.368 . . . . 0.0 110.826 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 t -71.88 -57.34 4.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.04 -140.38 6.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 m -129.65 164.08 24.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.878 0.371 . . . . 0.0 110.864 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -106.99 -56.16 2.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.98 117.94 0.51 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.2 t -140.88 162.3 35.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.938 0.399 . . . . 0.0 110.809 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 10' ' ' GLN . 12.3 t -56.07 -39.94 72.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.409 ' N ' HG22 ' A' ' 9' ' ' THR . 36.5 mt-30 -67.11 77.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 92.2 m -81.94 -42.39 19.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -104.67 -42.03 5.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -53.22 -41.63 65.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.7 -62.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mp -50.13 -46.8 54.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.484 ' CD1' HG11 ' A' ' 55' ' ' VAL . 4.9 t80 -39.58 -58.63 1.26 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -50.0 -44.34 51.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -62.63 -45.11 94.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.61 -44.85 92.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.8 t -111.7 80.88 3.06 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.71 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 152.24 69.28 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.664 2.243 . . . . 0.0 112.328 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.549 ' CD1' ' C ' ' A' ' 26' ' ' VAL . 12.3 tp -107.22 89.01 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.446 HG21 ' N ' ' A' ' 24' ' ' ASN . 28.1 m -109.69 -30.53 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.446 ' N ' HG21 ' A' ' 23' ' ' VAL . 14.7 m-20 -104.98 37.86 2.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.94 34.32 22.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.549 ' C ' ' CD1' ' A' ' 22' ' ' LEU . 8.1 p -165.94 135.33 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 111.137 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -86.42 37.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -66.57 129.96 41.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -60.87 173.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -118.43 156.0 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -45.19 -36.68 3.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.7 mt -71.52 -51.8 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -56.26 -37.0 69.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 37' ' ' LEU . 4.0 mt -72.89 -60.73 2.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -44.31 -37.47 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -78.51 -29.9 46.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 34' ' ' LEU . 8.0 mt -66.81 -45.52 78.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -44.22 -52.85 7.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.465 ' N ' ' HE2' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -42.33 -50.68 5.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mt -63.6 -32.07 73.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.69 26.33 8.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.0 mt -98.72 85.85 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 111.146 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -70.91 68.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -145.45 129.94 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.2 p -118.62 18.3 13.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.64 133.61 22.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 110.83 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -1.36 8.31 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.1 m -109.82 -37.53 5.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.1 p -59.28 -53.02 63.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.0 mp -44.43 136.29 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 54' ' ' GLU . 8.8 t -104.38 154.95 19.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 53' ' ' GLU . 15.3 pt-20 -36.37 -47.62 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 15.4 tt0 -53.7 -44.85 70.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 51' ' ' THR . 92.7 mt-10 -74.76 -37.8 62.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.484 HG11 ' CD1' ' A' ' 16' ' ' TYR . 92.5 t -58.61 -55.66 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 9.3 ptm180 -52.92 -46.37 68.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 26.6 mtmt -64.24 -45.8 86.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.28 -37.62 86.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.37 -39.45 59.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.3 mtt-85 -55.08 -62.58 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 pp -38.13 -39.44 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -100.61 102.45 13.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 61.7 mt -99.65 116.25 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -62.15 139.85 96.09 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.869 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.428 ' C ' HD11 ' A' ' 68' ' ' ILE . 53.7 Cg_endo -69.75 3.05 2.99 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.729 2.286 . . . . 0.0 112.338 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -110.67 -10.75 14.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 68' ' ' ILE . 5.7 p -134.96 25.3 3.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.471 ' C ' ' O ' ' A' ' 67' ' ' THR . 2.3 mp -32.22 135.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.448 ' N ' HG23 ' A' ' 68' ' ' ILE . 34.1 p -123.27 86.7 2.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -55.43 -45.94 76.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -86.97 -44.09 11.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.859 0.361 . . . . 0.0 110.858 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 m -56.05 -51.02 69.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.75 171.51 37.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 t -163.21 170.63 17.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.893 0.378 . . . . 0.0 110.891 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -90.35 114.08 26.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.7 54.53 0.1 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 m -133.38 151.62 51.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.4 . . . . 0.0 110.89 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.4 t -115.27 28.77 8.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -99.03 44.65 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.4 m -94.6 -49.43 5.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -88.83 -43.35 11.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -50.25 -51.39 44.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.61 -48.61 66.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.31 -43.32 96.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -49.78 -59.2 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -43.38 -54.4 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -59.68 -52.13 66.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.8 mt -52.12 -38.98 59.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.5 t -114.92 80.78 6.95 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 0.0 111.114 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 168.03 22.83 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.677 2.251 . . . . 0.0 112.36 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.84 111.96 23.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.9 m -124.1 131.86 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 56.04 39.04 30.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.19 23.49 59.82 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.8 p -153.47 151.15 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.136 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -109.28 119.04 38.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -135.18 138.76 43.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -72.87 113.19 9.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -59.53 170.55 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -56.64 -43.54 80.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.2 mm -63.39 -34.51 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.488 ' OE1' ' CZ ' ' A' ' 58' ' ' PHE . 5.9 mm100 -70.84 -49.28 47.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 36' ' ' ARG . 4.0 mt -57.54 -64.25 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 34' ' ' LEU . 3.2 t -37.24 -28.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 34' ' ' LEU . 34.6 mtp85 -85.19 -42.62 14.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.556 ' HG ' ' CE1' ' A' ' 58' ' ' PHE . 36.5 mt -61.22 -32.66 72.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 41' ' ' GLY . 21.7 mtmm -65.14 -49.73 68.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -44.09 -49.33 8.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.5 mt -63.82 -25.74 68.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 95.26 18.38 33.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.461 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.458 ' CG2' ' HE2' ' A' ' 44' ' ' LYS . 44.6 mt -69.51 -50.67 48.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 111.089 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 62.12 41.45 10.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.458 ' HE2' ' CG2' ' A' ' 42' ' ' ILE . 20.8 mtmm -127.76 109.05 11.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 79.4 p -94.55 29.5 2.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -136.43 130.59 18.13 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.655 0.74 . . . . 0.0 110.854 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -2.65 10.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.331 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -104.85 -30.12 10.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.436 ' O ' ' CD ' ' A' ' 44' ' ' LYS . 70.7 p -75.03 -12.92 60.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -83.52 133.33 34.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 52' ' ' GLU . 14.6 t -102.01 160.52 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' THR . 37.2 mt-10 -37.87 -40.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -61.17 -50.33 73.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.32 -26.26 62.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.6 t -73.01 -51.33 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 24.0 ptt180 -59.52 -42.95 93.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 20.1 mtpp -65.01 -45.23 86.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.556 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 8.6 t80 -64.2 -42.68 96.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.84 -38.59 86.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -40.69 -49.58 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.1 mt -38.33 -46.07 1.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -90.45 106.76 18.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.5 mt -104.01 122.66 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.16 153.89 94.17 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.554 0.692 . . . . 0.0 110.859 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -6.5 18.73 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.668 2.246 . . . . 0.0 112.355 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -107.92 -13.79 14.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 68' ' ' ILE . 1.4 t -111.95 5.84 19.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.54 HG22 ' CD1' ' A' ' 70' ' ' TRP . 19.0 mt -34.08 101.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.6 t -108.56 28.37 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.54 ' CD1' HG22 ' A' ' 68' ' ' ILE . 36.0 p-90 -121.26 29.53 7.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.7 tm0? . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.892 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 p -115.71 118.11 32.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.877 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -101.66 42.22 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.51 102.55 0.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.9 p -120.63 167.88 11.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -141.66 150.27 41.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 122.05 -78.65 0.34 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.505 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 7' ' ' GLY . 42.4 m -34.95 131.21 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.895 0.379 . . . . 0.0 110.9 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.4 t -53.43 -19.36 3.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 41.17 45.38 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.0 m -124.27 -56.97 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.27 -44.06 11.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -64.04 -44.34 92.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.04 -57.86 5.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' TYR . 9.5 mp -63.72 -48.06 78.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.434 ' C ' ' O ' ' A' ' 15' ' ' LEU . 3.7 t80 -35.98 -42.87 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -63.42 -54.11 41.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.1 mtp85 -56.28 -37.71 70.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.451 ' O ' ' NE2' ' A' ' 33' ' ' GLN . 8.5 mt -66.64 -52.18 47.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.3 t -109.8 74.86 0.78 Allowed Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.582 0.706 . . . . 0.0 111.1 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 161.35 46.27 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.453 ' CD1' ' N ' ' A' ' 26' ' ' VAL . 6.4 tp -102.86 98.06 8.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.442 HG22 ' N ' ' A' ' 24' ' ' ASN . 29.4 m -104.45 -52.39 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.442 ' N ' HG22 ' A' ' 23' ' ' VAL . 26.3 m120 -99.64 40.65 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.83 15.29 12.28 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.453 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 51.8 t -133.69 135.18 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -91.97 33.6 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.45 ' CG ' HG11 ' A' ' 26' ' ' VAL . 11.0 pt-20 -78.03 127.8 32.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -50.64 171.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 t -106.43 164.34 12.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -49.6 -34.39 17.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.4 mt -71.77 -52.59 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 19' ' ' LEU . 92.9 mt-30 -54.25 -52.68 60.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 35' ' ' SER . 5.2 mt -47.94 -67.46 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' LEU . 2.3 t -38.17 -35.06 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -77.84 -49.84 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.7 mt -51.51 -35.94 42.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -64.7 -28.02 69.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.83 -48.81 67.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.64 -32.95 74.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.62 23.29 6.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 65.0 mt -93.6 88.47 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.348 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -72.83 67.69 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.0 mttt -135.81 167.94 20.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.8 p -132.15 -39.41 1.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -89.7 142.71 29.47 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.542 0.687 . . . . 0.0 110.943 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -21.2 33.74 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 95.2 p -70.57 -37.35 73.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.3 p -67.23 -30.1 69.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.415 ' CD1' ' HB3' ' A' ' 54' ' ' GLU . 3.5 mm? -54.5 145.06 19.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.1 p -109.32 168.97 9.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -52.09 -40.53 61.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.407 ' HG2' ' NZ ' ' A' ' 57' ' ' LYS . 7.5 tt0 -62.93 -50.12 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.493 ' N ' ' CD ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -64.69 -37.35 87.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.13 -59.01 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -54.39 -24.68 20.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.407 ' NZ ' ' HG2' ' A' ' 53' ' ' GLU . 19.7 mtmm -83.63 -49.14 9.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -64.21 -23.67 67.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.72 -9.01 58.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.462 ' HG2' ' N ' ' A' ' 61' ' ' LEU . 2.4 ptm180 -89.99 -35.5 15.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.462 ' N ' ' HG2' ' A' ' 60' ' ' ARG . 4.2 mm? -38.22 -39.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -103.97 83.38 2.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 19.2 mt -69.1 102.11 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.49 ' O ' ' CG2' ' A' ' 67' ' ' THR . 3.0 m-20 -98.95 150.98 37.19 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.627 0.727 . . . . 0.0 110.858 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 68' ' ' ILE . 53.3 Cg_endo -69.76 -49.43 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 65' ' ' PRO . . . -35.96 -57.11 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.061 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 64' ' ' ASP . 1.8 t -55.01 -39.89 69.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.498 HG21 ' CD1' ' A' ' 70' ' ' TRP . 40.3 mm -52.86 98.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.8 m -132.07 41.12 3.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.533 ' CE3' ' N ' ' A' ' 71' ' ' GLN . 52.2 p-90 -96.52 -39.71 9.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.533 ' N ' ' CE3' ' A' ' 70' ' ' TRP . 21.5 pt20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -89.6 141.76 28.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.365 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -174.16 128.37 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.75 142.7 3.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.1 p -87.41 102.14 14.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.83 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -68.66 165.71 18.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.68 -117.89 0.67 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.522 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.9 m -100.22 79.06 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.967 0.413 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 t -80.23 153.98 28.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.45 ' HB2' ' CB ' ' A' ' 13' ' ' LYS . 7.4 mt-30 -88.64 146.04 25.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.5 m -50.7 -49.87 56.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -81.48 -57.93 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.45 ' CB ' ' HB2' ' A' ' 10' ' ' GLN . 24.8 ttpt -42.16 -52.88 4.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.37 92.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -60.19 -51.05 71.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -61.98 -52.29 64.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -49.07 -40.46 31.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -76.73 -46.08 26.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.1 mt -46.24 -50.1 16.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -108.39 82.08 1.52 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.647 0.736 . . . . 0.0 111.107 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 149.74 67.2 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.685 2.256 . . . . 0.0 112.369 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.474 HD21 ' N ' ' A' ' 27' ' ' ARG . 1.3 tm? -124.85 102.62 7.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.42 HG21 ' N ' ' A' ' 24' ' ' ASN . 17.1 m -130.59 -31.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.42 ' N ' HG21 ' A' ' 23' ' ' VAL . 39.1 m-20 -82.7 -9.05 59.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.7 12.82 52.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.41 ' C ' ' CD2' ' A' ' 22' ' ' LEU . 11.3 t -147.12 107.42 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.133 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.474 ' N ' HD21 ' A' ' 22' ' ' LEU . 73.6 mtt180 -75.93 115.02 15.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -147.73 143.74 27.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -67.39 171.14 6.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 t -103.75 166.32 10.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -49.59 -52.77 27.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 mm -60.78 -44.76 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.165 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.456 ' O ' ' CD1' ' A' ' 37' ' ' LEU . 67.0 mt-30 -58.43 -34.59 70.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' LEU . 6.3 mt -77.24 -66.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t -44.43 -31.26 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -82.7 -29.27 29.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 34' ' ' LEU . 5.6 mt -73.81 -38.34 64.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -45.19 -51.71 10.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.12 -53.25 6.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 mt -59.56 -30.3 68.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.95 23.78 11.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.476 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 90.6 mt -94.11 86.07 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 111.162 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -79.95 44.99 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -119.04 103.67 9.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 57.6 m -77.06 -46.76 22.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -57.4 126.45 74.77 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.595 0.712 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -3.27 11.69 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.6 m -96.1 -44.35 7.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 34.3 p -53.38 -46.02 69.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.117 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.9 mp -48.55 134.33 15.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.3 p -100.07 179.44 4.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -50.46 -45.24 55.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -60.42 -56.39 22.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -53.75 -43.12 68.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.2 t -64.11 -59.63 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.089 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -45.06 -44.5 10.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -63.8 -65.73 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -40.0 -49.3 2.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -49.53 -51.49 36.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' LEU . 65.7 mtp180 -34.71 -65.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 60' ' ' ARG . 7.7 mt -34.39 -51.8 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -82.71 105.43 13.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.2 mt -111.79 106.33 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -80.73 149.93 68.57 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -44.22 2.21 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.12 -54.0 50.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.0 p -42.42 -42.3 3.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 30.4 mm -41.75 114.76 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.2 p -149.47 112.96 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.14 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -87.28 -43.59 12.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.809 0.338 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.69 -47.49 13.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.802 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -41.96 -55.54 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.46 -53.37 30.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 16' ' ' TYR . 33.8 mt -55.73 -50.29 70.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.554 ' CD1' HG13 ' A' ' 55' ' ' VAL . 7.4 t80 -37.11 -47.76 0.77 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -55.44 -58.04 9.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -48.94 -51.85 27.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.727 HD13 ' CE2' ' A' ' 58' ' ' PHE . 18.0 mt -53.95 -56.78 14.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.492 HG21 ' CE1' ' A' ' 29' ' ' PHE . 20.6 t -109.48 81.17 1.72 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 175.39 8.16 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.524 HD11 ' N ' ' A' ' 26' ' ' VAL . 8.1 tp -127.35 97.87 5.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.7 m -122.39 -31.54 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -93.04 11.71 26.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.4 13.34 79.97 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.524 ' N ' HD11 ' A' ' 22' ' ' LEU . 6.3 p -154.48 117.04 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.165 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -74.51 116.58 15.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.507 ' HG3' HG22 ' A' ' 26' ' ' VAL . 78.9 mt-10 -147.57 133.17 18.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.492 ' CE1' HG21 ' A' ' 20' ' ' VAL . 23.8 m-85 -56.35 178.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.5 m -126.43 161.04 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.466 ' HA ' HD12 ' A' ' 34' ' ' LEU . 13.8 pt-20 -50.62 -20.42 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.579 ' H ' HD12 ' A' ' 32' ' ' ILE . 4.6 mp -82.33 -56.01 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -56.49 -48.86 76.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' ARG . 4.8 mt -54.25 -66.47 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 t -38.36 -27.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' LEU . 56.6 mtm180 -86.99 -41.7 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 34' ' ' LEU . 19.1 mt -60.67 -44.81 96.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.447 ' CD ' ' O ' ' A' ' 34' ' ' LEU . 0.8 OUTLIER -46.52 -52.14 13.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -43.75 -44.44 6.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.2 mt -69.01 -31.77 70.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.21 19.21 9.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.469 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 58.5 mt -94.74 90.59 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -76.56 64.7 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.835 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -128.41 146.72 50.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.4 m -112.9 -47.16 3.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -84.89 143.33 40.09 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 -8.16 22.91 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.723 2.282 . . . . 0.0 112.329 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.9 m -74.75 -52.18 12.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.8 p -57.08 -31.59 65.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.157 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.96 147.21 15.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' GLU . 9.8 t -123.89 152.84 41.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 51' ' ' THR . 43.2 mt-10 -34.47 -43.1 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -59.84 -46.46 89.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 51' ' ' THR . 6.3 mm-40 -72.02 -43.21 65.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.554 HG13 ' CD1' ' A' ' 16' ' ' TYR . 84.2 t -55.56 -55.9 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -55.53 -34.12 64.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -70.86 -51.94 23.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.727 ' CE2' HD13 ' A' ' 19' ' ' LEU . 21.9 t80 -57.15 -29.77 63.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.46 -42.18 18.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -49.58 -56.52 9.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.826 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.479 ' C ' HD12 ' A' ' 61' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.7 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.833 0.349 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.49 -42.78 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -65.86 -43.52 88.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.25 -59.62 4.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.19 -45.89 89.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -50.04 -59.38 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -45.17 -43.05 9.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -71.56 -39.28 70.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.616 HD13 ' CE2' ' A' ' 58' ' ' PHE . 68.7 mt -62.45 -44.36 96.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.573 HG21 ' CE1' ' A' ' 29' ' ' PHE . 58.4 t -122.34 80.61 45.47 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.647 0.737 . . . . 0.0 111.125 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 152.22 69.75 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.525 HD12 ' N ' ' A' ' 26' ' ' VAL . 6.5 tp -87.22 58.86 5.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.7 m -66.98 146.7 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 51.21 29.53 4.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.02 32.15 79.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.525 ' N ' HD12 ' A' ' 22' ' ' LEU . 2.7 p -158.0 113.5 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -79.53 145.18 33.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -171.77 141.16 1.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CE1' HG21 ' A' ' 20' ' ' VAL . 20.6 m-85 -65.28 157.55 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.474 ' N ' ' OE1' ' A' ' 33' ' ' GLN . 13.8 t -101.42 154.34 18.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.851 ' HA ' HD12 ' A' ' 34' ' ' LEU . 7.5 pt-20 -38.32 -39.73 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.4 mt -71.16 -55.05 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.474 ' OE1' ' N ' ' A' ' 30' ' ' SER . 34.6 mt-30 -50.32 -44.12 54.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' A' ' 31' ' ' GLU . 4.8 mt -57.29 -64.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 t -43.13 -27.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.7 mtt-85 -84.96 -35.66 21.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' LEU . 29.8 mt -66.24 -38.27 87.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -66.63 -43.54 84.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -53.97 -46.46 71.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.7 mt -62.68 -32.1 73.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.57 23.54 7.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.455 ' CG2' ' HD2' ' A' ' 44' ' ' LYS . 87.2 mt -80.09 -49.55 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 0.0 111.108 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.3 m80 62.98 49.98 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.455 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 16.8 mttp -130.41 146.66 52.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -109.25 -39.94 5.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -88.37 141.32 30.59 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.583 0.706 . . . . 0.0 110.849 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -4.59 14.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.33 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -85.75 -36.99 19.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.902 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.427 ' C ' ' HD3' ' A' ' 44' ' ' LYS . 21.7 p -63.42 -38.8 92.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -45.17 153.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.743 ' O ' HG23 ' A' ' 55' ' ' VAL . 72.1 p -118.59 -178.35 3.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -62.4 -39.25 92.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -69.82 -53.49 17.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -60.49 -34.03 73.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 51' ' ' THR . 20.4 t -63.77 -51.46 69.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.8 mtp85 -59.85 -34.96 73.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -72.26 -55.29 7.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.616 ' CE2' HD13 ' A' ' 19' ' ' LEU . 45.0 t80 -51.72 -51.49 55.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.462 ' HA ' HD11 ' A' ' 19' ' ' LEU . . . -60.58 -54.51 44.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 59' ' ' ALA . 36.9 mtp180 -34.75 -50.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 60' ' ' ARG . 32.9 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.797 0.332 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -100.24 -39.87 7.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -63.43 -34.42 77.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.2 -49.31 77.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 mp -71.82 -48.96 42.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.595 ' CD1' HG13 ' A' ' 55' ' ' VAL . 2.1 t80 -47.53 -53.88 13.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -50.36 -57.2 8.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -50.76 -52.36 41.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.0 mt -55.7 -52.91 62.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.5 t -110.9 81.31 2.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.58 0.705 . . . . 0.0 111.186 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 153.19 69.24 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.323 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.473 HD12 ' HE ' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -119.54 110.23 16.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.0 m -131.43 -36.57 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -85.72 21.38 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.431 ' C ' HD21 ' A' ' 22' ' ' LEU . . . 65.64 9.64 45.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.408 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.7 p -153.93 122.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.809 0.338 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.473 ' HE ' HD12 ' A' ' 22' ' ' LEU . 95.6 mtt180 -82.45 144.96 30.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -158.48 138.84 12.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -72.14 163.26 28.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.6 t -119.39 164.45 15.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.555 ' HA ' HD12 ' A' ' 34' ' ' LEU . 12.2 pt-20 -49.62 -33.45 15.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.6 mt -70.75 -54.31 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -58.29 -51.51 69.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 31' ' ' GLU . 5.0 mt -52.0 -66.66 0.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 t -38.5 -35.97 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.414 ' NH2' ' HB3' ' A' ' 61' ' ' LEU . 72.8 mtp180 -77.46 -39.64 45.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 34' ' ' LEU . 26.5 mt -64.79 -34.57 78.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -53.52 -50.06 66.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -47.6 -46.18 28.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.6 mt -63.86 -25.44 68.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.47 21.45 24.4 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 56.1 mt -97.38 97.69 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.379 . . . . 0.0 111.11 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -82.5 52.05 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.9 mttp -118.73 111.3 18.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -93.1 43.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.428 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 4.6 t70 -157.63 141.0 11.13 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.619 0.724 . . . . 0.0 110.838 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 46' ' ' ASP . 54.1 Cg_endo -69.77 -20.42 34.82 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.328 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.8 m -87.89 -41.66 13.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.1 p -57.34 -17.96 14.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 mp -85.95 147.51 26.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 54' ' ' GLU . 66.8 p -107.41 160.32 15.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -38.61 -51.55 1.64 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -54.9 -42.21 71.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 51' ' ' THR . 75.7 mt-10 -73.93 -29.86 62.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.595 HG13 ' CD1' ' A' ' 16' ' ' TYR . 89.0 t -69.97 -52.12 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -60.59 -37.43 81.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -60.67 -48.6 81.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -59.37 -43.5 92.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.9 95.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.12 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -38.45 -48.85 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.414 ' HB3' ' NH2' ' A' ' 36' ' ' ARG . 13.4 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.1 m . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.816 0.341 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.459 ' HA ' HD12 ' A' ' 15' ' ' LEU . 11.2 p-10 -75.79 -54.06 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -38.57 -56.73 1.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.96 -52.66 48.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.105 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 12' ' ' ASP . 27.0 mt -54.61 -43.44 72.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.514 ' CD1' HG13 ' A' ' 55' ' ' VAL . 15.7 t80 -60.9 -58.64 7.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -50.24 -47.48 55.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -61.31 -46.51 89.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.8 mt -59.91 -51.92 67.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.433 HG21 ' CE1' ' A' ' 29' ' ' PHE . 56.5 t -121.92 79.37 41.44 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.618 0.723 . . . . 0.0 111.089 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 154.8 67.54 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.7 2.267 . . . . 0.0 112.396 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.719 HD22 ' HG3' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -76.66 119.63 20.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.42 ' N ' HD13 ' A' ' 22' ' ' LEU . 12.0 m -131.49 133.41 61.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 54.97 37.11 28.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.62 34.86 71.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.1 p -166.93 141.01 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.799 0.333 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.719 ' HG3' HD22 ' A' ' 22' ' ' LEU . 65.3 mtm180 -113.79 142.85 45.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -150.69 127.94 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.433 ' CE1' HG21 ' A' ' 20' ' ' VAL . 23.2 m-85 -57.53 162.48 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.3 m -105.01 163.62 12.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' A' ' 34' ' ' LEU . 8.6 pt-20 -52.86 -37.63 60.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.3 mt -73.12 -42.08 58.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -63.54 -36.02 82.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 31' ' ' GLU . 5.3 mt -72.61 -65.31 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 t -42.07 -36.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.407 ' HD3' HD13 ' A' ' 61' ' ' LEU . 2.3 ptp180 -79.27 -30.27 42.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.497 HD21 ' CD1' ' A' ' 58' ' ' PHE . 12.0 mt -69.12 -41.36 77.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -43.07 -48.27 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.23 -51.9 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.545 HD11 HD11 ' A' ' 61' ' ' LEU . 17.6 mt -60.69 -32.04 71.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.7 25.2 8.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 97.7 mt -95.99 93.1 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 111.177 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -80.67 44.45 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -111.7 145.55 39.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.6 p -109.13 -44.84 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.431 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 9.2 t70 -75.49 140.12 71.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.603 0.716 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.471 ' HG3' ' CB ' ' A' ' 27' ' ' ARG . 53.7 Cg_endo -69.79 -11.0 29.9 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -86.76 -42.26 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.4 p -51.92 -44.51 63.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mp -56.27 141.82 39.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -105.1 159.27 15.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -40.79 -48.53 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -51.07 -37.98 48.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -84.22 -35.03 23.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.514 HG13 ' CD1' ' A' ' 16' ' ' TYR . 73.6 t -59.09 -47.21 90.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -62.23 -42.86 99.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -66.23 -59.14 4.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.549 ' O ' HD12 ' A' ' 61' ' ' LEU . 38.9 t80 -46.71 -52.87 12.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.13 -49.35 76.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 -38.65 -37.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 58' ' ' PHE . 16.7 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.3 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.818 0.342 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -101.14 -34.42 9.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -56.76 -27.31 59.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.491 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -65.94 -41.9 90.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.067 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.629 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -47.41 -38.07 12.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.579 ' CE1' HG13 ' A' ' 55' ' ' VAL . 2.7 m-85 -61.37 -61.97 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -37.96 -32.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.908 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 16' ' ' TYR . 58.3 mtt180 -89.18 -44.83 10.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.5 mt -60.17 -58.82 6.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.614 ' O ' HG13 ' A' ' 20' ' ' VAL . 7.1 p -109.8 79.03 1.34 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.658 0.742 . . . . 0.0 111.158 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 175.03 8.66 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.32 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.751 HD11 ' N ' ' A' ' 26' ' ' VAL . 11.2 tp -123.14 103.5 8.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.9 m -116.28 -29.42 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -96.63 -31.99 12.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.16 17.65 2.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.751 ' N ' HD11 ' A' ' 22' ' ' LEU . 6.2 p -155.75 122.04 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.342 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.458 ' HG3' HD13 ' A' ' 22' ' ' LEU . 34.1 mtt180 -79.55 81.17 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -110.49 141.92 42.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -66.25 -178.66 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.483 ' N ' ' OE1' ' A' ' 33' ' ' GLN . 2.9 m -135.93 159.68 40.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.526 ' HA ' HD12 ' A' ' 34' ' ' LEU . 7.0 pt-20 -39.04 -39.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.3 mt -63.21 -55.84 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.483 ' OE1' ' N ' ' A' ' 30' ' ' SER . 46.3 mt-30 -57.82 -52.75 64.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 31' ' ' GLU . 4.8 mt -51.98 -67.46 0.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' LEU . 2.8 t -36.82 -29.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 34' ' ' LEU . 74.2 mtt180 -85.69 -46.82 10.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' LEU . 15.3 mt -57.82 -35.05 70.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -60.58 -49.98 75.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -46.82 -51.66 16.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.4 mt -59.12 -33.3 70.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.74 23.42 6.84 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.414 HG22 ' HB2' ' A' ' 44' ' ' LYS . 58.0 mt -97.93 100.86 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.837 0.351 . . . . 0.0 111.149 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -80.49 50.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.414 ' HB2' HG22 ' A' ' 42' ' ' ILE . 25.7 mttp -120.58 131.24 54.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.5 p -112.52 33.92 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -151.83 138.79 12.17 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.6 0.714 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 0.17 6.04 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.26 . . . . 0.0 112.312 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.1 m -103.95 -41.93 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.408 ' C ' ' HD3' ' A' ' 44' ' ' LYS . 75.6 p -60.25 -23.54 64.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.123 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.523 HD22 ' OH ' ' A' ' 16' ' ' TYR . 5.0 mp -74.67 133.73 42.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 52' ' ' GLU . 14.7 t -92.34 155.46 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' THR . 31.8 mt-10 -34.28 -51.81 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -49.43 -47.91 47.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.812 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 51' ' ' THR . 0.3 OUTLIER -72.72 -37.6 67.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.579 HG13 ' CE1' ' A' ' 16' ' ' TYR . 87.4 t -56.33 -51.41 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.447 ' O ' ' CG ' ' A' ' 60' ' ' ARG . 87.1 mtt180 -55.56 -46.47 77.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -64.83 -61.86 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -47.89 -51.42 23.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.629 ' HB1' ' CB ' ' A' ' 15' ' ' LEU . . . -62.81 -45.83 90.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.12 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 8.8 mmt85 -44.45 -39.93 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.822 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.6 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.81 0.338 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.08 -35.28 15.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -52.93 -30.73 36.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.14 -35.87 81.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 18' ' ' ARG . 9.7 mt -77.0 -56.9 4.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.567 ' CG ' HG13 ' A' ' 55' ' ' VAL . 8.6 t80 -36.04 -48.77 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -60.54 -41.47 94.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' LEU . 24.0 ttm180 -75.1 -23.45 57.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.483 ' O ' ' NE2' ' A' ' 33' ' ' GLN . 14.6 mt -77.41 -38.38 49.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.443 HG21 ' CE2' ' A' ' 29' ' ' PHE . 35.4 t -131.71 76.77 73.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.604 0.716 . . . . 0.0 111.122 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 167.64 23.84 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.709 2.272 . . . . 0.0 112.323 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.68 HD21 ' N ' ' A' ' 26' ' ' VAL . 1.7 tt -130.73 100.99 5.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 24' ' ' ASN . 35.9 m -120.92 -40.74 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.431 ' N ' HG23 ' A' ' 23' ' ' VAL . 7.2 t-20 -70.19 -0.29 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.678 ' C ' HD21 ' A' ' 22' ' ' LEU . . . 90.47 7.21 67.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.68 ' N ' HD21 ' A' ' 22' ' ' LEU . 4.3 p -156.97 115.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 111.139 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.491 ' HG3' HD12 ' A' ' 22' ' ' LEU . 19.4 mtp180 -66.08 145.22 56.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -174.87 130.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.443 ' CE2' HG21 ' A' ' 20' ' ' VAL . 66.5 m-85 -62.64 177.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.8 t -116.55 159.45 22.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.811 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.888 ' HA ' HD12 ' A' ' 34' ' ' LEU . 7.0 pt-20 -50.55 -18.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.7 mm -87.17 -53.67 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 19' ' ' LEU . 79.7 mt-30 -55.55 -46.77 77.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.888 HD12 ' HA ' ' A' ' 31' ' ' GLU . 4.5 mt -47.56 -65.76 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' LEU . 3.5 t -37.56 -30.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' LEU . 17.3 mmm-85 -79.52 -43.4 23.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' LEU . 31.4 mt -64.11 -35.48 80.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -71.75 -45.42 61.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -51.09 -46.4 61.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -63.16 -32.44 73.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.969 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.68 14.45 7.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.523 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.462 ' CD1' ' HG2' ' A' ' 54' ' ' GLU . 93.8 mt -92.41 109.58 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.366 . . . . 0.0 111.182 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -87.92 50.39 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.419 ' HD3' HD22 ' A' ' 50' ' ' LEU . 24.7 mttt -121.11 140.82 51.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.4 p -114.52 -22.71 9.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.685 ' O ' HD23 ' A' ' 50' ' ' LEU . 14.0 m-20 -101.2 139.66 20.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.563 0.697 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -24.01 30.13 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.9 m -72.24 -26.87 62.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.8 p -90.13 18.84 5.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.699 HD13 ' OE1' ' A' ' 54' ' ' GLU . 1.4 mm? -99.42 149.25 23.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -117.49 150.6 38.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' THR . 17.0 mt-10 -36.27 -48.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -50.56 -46.31 57.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.699 ' OE1' HD13 ' A' ' 50' ' ' LEU . 53.0 mt-10 -76.1 -54.16 7.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.567 HG13 ' CG ' ' A' ' 16' ' ' TYR . 88.6 t -42.73 -46.2 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -69.92 -34.11 73.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -68.6 -58.76 3.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.646 ' O ' HD12 ' A' ' 61' ' ' LEU . 17.8 t80 -44.08 -41.19 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -74.98 -46.97 31.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.08 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 61' ' ' LEU . 22.3 mmt-85 -36.56 -44.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.646 HD12 ' O ' ' A' ' 58' ' ' PHE . 19.9 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.4 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.779 0.324 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.432 ' OD2' ' NH1' ' A' ' 56' ' ' ARG . 12.4 m-20 -71.71 -47.89 50.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -47.62 -55.58 9.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -38.76 -59.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.149 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 16' ' ' TYR . 6.8 mp -46.55 -55.04 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.655 ' CD1' HG13 ' A' ' 55' ' ' VAL . 18.6 t80 -35.43 -60.43 0.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -48.6 -45.37 38.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -61.21 -47.61 85.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.541 HD13 ' CD2' ' A' ' 58' ' ' PHE . 21.2 mt -58.06 -47.71 82.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.517 HG22 HE22 ' A' ' 33' ' ' GLN . 9.7 t -119.67 80.1 23.42 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.599 0.714 . . . . 0.0 111.122 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 161.52 45.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.24 . . . . 0.0 112.321 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.456 HD12 ' NE ' ' A' ' 27' ' ' ARG . 1.4 tt -111.37 121.58 45.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.546 HG23 ' H ' ' A' ' 24' ' ' ASN . 7.7 m -135.05 -54.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.094 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.546 ' H ' HG23 ' A' ' 23' ' ' VAL . 89.0 m-20 -83.53 35.09 0.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.402 ' HA2' HD21 ' A' ' 22' ' ' LEU . . . 53.55 13.66 3.06 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.9 t -151.48 117.57 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 111.16 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.456 ' NE ' HD12 ' A' ' 22' ' ' LEU . 54.3 mtt180 -84.42 123.8 30.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -138.5 139.77 38.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -65.06 -179.15 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 32' ' ' ILE . 13.4 t -130.55 146.08 52.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' SER . 3.7 pt-20 -35.9 -32.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 30' ' ' SER . 49.9 mt -72.29 -58.31 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.517 HE22 HG22 ' A' ' 20' ' ' VAL . 84.8 mt-30 -52.97 -57.68 9.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' LEU . 5.6 mt -45.59 -68.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.7 t -38.31 -34.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -79.86 -43.61 21.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' LEU . 24.1 mt -53.67 -39.02 64.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -61.55 -31.66 71.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -47.72 82.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.814 HD11 HD23 ' A' ' 61' ' ' LEU . 71.8 mt -66.26 -28.5 68.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.04 18.75 8.54 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.45 HG23 ' OE2' ' A' ' 54' ' ' GLU . 60.1 mt -92.58 116.8 34.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.896 0.379 . . . . 0.0 111.127 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -98.74 46.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.409 ' H ' HG22 ' A' ' 42' ' ' ILE . 71.3 mttt -117.17 139.87 50.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.1 m -107.81 -37.37 6.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -84.96 141.37 37.76 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.577 0.703 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -21.29 33.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.378 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 84.7 p -77.85 -26.66 49.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.5 p -71.06 -36.23 72.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -45.63 151.65 0.39 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 52' ' ' GLU . 9.0 t -126.11 149.24 49.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' THR . 10.6 pt-20 -34.48 -43.3 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -55.88 -52.82 62.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.45 ' OE2' HG23 ' A' ' 42' ' ' ILE . 65.7 mt-10 -71.1 -48.04 54.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.655 HG13 ' CD1' ' A' ' 16' ' ' TYR . 96.9 t -43.44 -44.79 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.432 ' NH1' ' OD2' ' A' ' 12' ' ' ASP . 80.9 mtt-85 -60.45 -44.16 96.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -65.76 -55.19 18.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.541 ' CD2' HD13 ' A' ' 19' ' ' LEU . 29.3 t80 -38.69 -38.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -81.14 -49.65 10.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.066 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' ALA . 2.1 mmp_? -37.11 -62.14 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.814 HD23 HD11 ' A' ' 40' ' ' LEU . 3.1 pp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.8 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.779 0.323 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.35 -42.0 7.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -51.17 -41.22 60.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.52 -55.51 20.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.0 mt -46.84 -46.51 20.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -46.4 -49.72 17.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -48.48 -52.86 20.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.847 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -60.76 -50.55 73.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.5 mt -48.64 -44.07 37.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.5 t -111.9 80.84 3.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.699 0.761 . . . . 0.0 111.17 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 163.94 36.38 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.53 HD13 ' CG ' ' A' ' 27' ' ' ARG . 14.3 tp -122.09 94.44 4.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.457 HG23 ' N ' ' A' ' 24' ' ' ASN . 34.7 m -106.86 -42.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.758 ' O ' HG12 ' A' ' 26' ' ' VAL . 20.5 m120 -97.82 42.0 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 42.62 39.87 3.62 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.758 HG12 ' O ' ' A' ' 24' ' ' ASN . 7.6 p -166.78 123.74 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.53 ' CG ' HD13 ' A' ' 22' ' ' LEU . 99.7 mtt180 -80.97 118.55 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -152.49 153.59 33.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -83.8 178.59 7.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -127.62 163.64 23.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.542 ' HA ' HD12 ' A' ' 34' ' ' LEU . 7.3 pt-20 -46.44 -29.76 1.87 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.49 ' H ' HD12 ' A' ' 32' ' ' ILE . 5.3 mp -75.33 -61.66 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -48.44 -50.67 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' A' ' 31' ' ' GLU . 4.8 mt -53.2 -65.49 0.55 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 t -39.26 -36.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.483 ' HD3' HD12 ' A' ' 61' ' ' LEU . 18.0 mtt180 -78.74 -38.02 39.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 34' ' ' LEU . 13.9 mt -57.4 -44.72 84.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -60.99 -48.79 80.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -49.51 -50.11 43.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.923 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 mt -62.69 -30.94 71.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.95 21.99 5.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 37.7 mt -103.59 98.74 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 111.115 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -86.37 72.1 10.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.822 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -149.75 148.71 29.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.6 p -112.45 -44.31 3.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.35 135.68 96.36 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.71 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.66 -3.45 11.97 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.373 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.2 m -102.04 -40.26 6.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.7 p -48.81 -47.81 41.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.133 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 mp -49.17 123.58 7.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.0 p -94.23 174.83 6.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -41.25 -43.8 2.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -63.76 -50.49 68.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.1 -42.21 89.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.8 t -61.74 -62.37 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -43.73 -42.73 5.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -68.41 -39.0 81.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.521 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 36.5 t80 -85.53 21.52 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -116.05 -38.71 3.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -60.77 -57.94 10.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.483 HD12 ' HD3' ' A' ' 36' ' ' ARG . 2.0 pt? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.925 ' O ' HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.769 0.319 . . . . 0.0 111.092 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.79 -53.65 7.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -54.58 -65.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.46 -19.54 24.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.072 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.925 HD23 ' O ' ' A' ' 11' ' ' THR . 2.9 mm? -79.26 -36.53 39.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -71.9 -50.01 32.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -40.15 -45.15 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.7 mtp85 -75.22 -52.42 10.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.446 HD13 ' CD2' ' A' ' 58' ' ' PHE . 14.5 mt -40.51 -43.65 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.3 t -109.68 81.45 1.93 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -177.07 1.69 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.339 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.733 HD13 ' HG3' ' A' ' 27' ' ' ARG . 13.7 tp -137.29 117.46 13.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 24' ' ' ASN . 33.9 m -124.8 -45.94 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.565 ' O ' HG12 ' A' ' 26' ' ' VAL . 36.5 t-20 -95.04 41.89 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 47.07 25.34 2.5 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.567 ' N ' HD11 ' A' ' 22' ' ' LEU . 13.9 p -158.98 123.29 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.85 0.357 . . . . 0.0 111.096 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.733 ' HG3' HD13 ' A' ' 22' ' ' LEU . 52.5 mtt180 -74.44 130.42 39.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.38 163.13 40.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.487 ' CE2' HD13 ' A' ' 50' ' ' LEU . 34.8 m-85 -96.92 162.78 13.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.7 p -109.52 165.8 11.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.515 ' HA ' HD12 ' A' ' 34' ' ' LEU . 16.8 pt-20 -50.01 -30.88 11.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.504 ' H ' HD12 ' A' ' 32' ' ' ILE . 5.3 mp -71.77 -59.11 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -49.26 -50.4 39.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.583 HD22 HG22 ' A' ' 45' ' ' THR . 5.1 mt -56.35 -66.09 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -39.14 -26.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 34' ' ' LEU . 76.4 mtt180 -87.57 -39.75 14.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.575 HD22 HD12 ' A' ' 42' ' ' ILE . 82.8 mt -62.59 -32.22 73.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -65.13 -41.65 94.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -53.79 -50.31 66.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.47 HD11 HD11 ' A' ' 61' ' ' LEU . 15.8 mt -62.03 -32.06 72.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.79 25.63 7.96 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.575 HD12 HD22 ' A' ' 37' ' ' LEU . 47.0 mt -77.9 -46.51 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 62.53 38.72 12.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.443 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 43.2 mttm -117.76 131.48 56.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.583 HG22 HD22 ' A' ' 34' ' ' LEU . 73.4 p -119.98 36.1 4.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -148.65 139.78 13.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -4.54 14.2 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.732 2.288 . . . . 0.0 112.372 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.1 t -99.7 -42.08 7.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.3 p -57.71 -41.55 81.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.139 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.487 HD13 ' CE2' ' A' ' 29' ' ' PHE . 3.9 mp -60.76 118.24 6.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 52' ' ' GLU . 43.2 p -96.92 162.61 13.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 51' ' ' THR . 44.2 mt-10 -34.4 -45.58 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.63 -53.22 60.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.75 -37.44 81.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.0 t -65.16 -61.41 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 5.9 ptp180 -45.84 -37.07 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 4.9 mtmp? -73.33 -36.73 66.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.446 ' CD2' HD13 ' A' ' 19' ' ' LEU . 42.8 t80 -65.18 -51.57 60.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -57.5 -45.76 84.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 59' ' ' ALA . 11.2 mmm180 -36.34 -48.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.47 HD11 HD11 ' A' ' 40' ' ' LEU . 4.1 mp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.5 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.785 0.326 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -85.52 -40.48 16.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -47.43 -50.4 22.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.29 -65.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.1 mt -39.32 -42.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -45.48 -60.12 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -51.02 -41.78 60.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -63.97 -42.36 97.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.3 mt -62.56 -49.72 74.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.542 HG11 ' O ' ' A' ' 27' ' ' ARG . 90.6 t -107.58 78.41 0.69 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.636 0.731 . . . . 0.0 111.13 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 172.63 12.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.723 2.282 . . . . 0.0 112.306 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.604 HD13 ' HG3' ' A' ' 27' ' ' ARG . 12.6 tp -130.95 94.03 3.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.522 HG23 ' N ' ' A' ' 24' ' ' ASN . 35.1 m -109.57 -46.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.143 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.522 ' N ' HG23 ' A' ' 23' ' ' VAL . 51.4 m-20 -79.57 -32.35 42.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.53 20.16 1.98 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.465 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.45 ' CG1' ' HG3' ' A' ' 28' ' ' GLU . 42.4 t -147.03 124.46 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 111.115 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.604 ' HG3' HD13 ' A' ' 22' ' ' LEU . 45.3 mtt180 -83.05 37.53 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.45 ' HG3' ' CG1' ' A' ' 26' ' ' VAL . 12.0 mt-10 -86.03 129.53 34.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -49.72 176.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 t -117.12 157.42 25.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.723 ' HA ' HD12 ' A' ' 34' ' ' LEU . 7.6 pt-20 -43.42 -36.0 1.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.499 ' H ' HD12 ' A' ' 32' ' ' ILE . 5.2 mp -69.58 -48.78 63.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -61.11 -40.77 95.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 31' ' ' GLU . 3.8 mt -66.13 -60.8 2.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -43.51 -39.78 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -79.68 -24.68 41.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.492 HD23 HD12 ' A' ' 42' ' ' ILE . 3.6 mt -72.01 -42.22 66.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -43.92 -50.15 8.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -43.71 -51.61 7.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.599 HD11 HD21 ' A' ' 61' ' ' LEU . 19.3 mt -61.8 -32.07 72.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.29 22.07 8.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.492 HD12 HD23 ' A' ' 37' ' ' LEU . 80.6 mt -92.26 89.94 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.883 0.373 . . . . 0.0 111.08 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -79.54 45.86 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -115.25 155.41 27.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.6 p -124.16 -34.58 2.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -83.09 137.39 43.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.713 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 1.97 3.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.7 m -98.27 -44.25 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.1 p -53.8 -38.69 64.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mp -58.72 129.75 43.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 52' ' ' GLU . 15.1 t -100.3 162.92 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' THR . 12.9 pt-20 -36.04 -45.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -56.44 -63.05 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -38.45 69.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.68 -59.7 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 11.2 ptp180 -55.34 -37.55 67.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 22.9 mtpp -67.21 -51.67 50.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -52.13 -38.38 57.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.75 96.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 61' ' ' LEU . 31.3 mtp180 -43.75 -48.16 8.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.599 HD21 HD11 ' A' ' 40' ' ' LEU . 4.3 mm? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.825 0.345 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.739 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -52.28 -34.09 44.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.469 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 22.4 tttp -65.19 -58.39 6.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.04 -35.27 33.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.739 HD12 ' HA ' ' A' ' 12' ' ' ASP . 5.3 mt -73.98 -27.23 60.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.468 ' CD1' HG13 ' A' ' 55' ' ' VAL . 2.7 t80 -75.31 -36.74 61.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 13' ' ' LYS . 41.9 m-80 -67.15 -51.72 50.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.472 ' CG ' ' N ' ' A' ' 19' ' ' LEU . 21.6 ptt85 -59.75 -46.4 89.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.595 HD12 ' O ' ' A' ' 15' ' ' LEU . 25.0 mt -58.61 -40.84 84.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.2 t -117.16 81.23 12.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.642 0.734 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 178.15 4.86 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.714 2.276 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.46 HD11 ' N ' ' A' ' 26' ' ' VAL . 8.8 tp -127.35 111.4 13.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.4 m -127.76 -43.4 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -83.44 6.79 18.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.64 0.88 90.38 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.512 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.46 ' N ' HD11 ' A' ' 22' ' ' LEU . 4.9 p -148.09 117.09 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -57.33 127.25 31.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -151.11 133.89 15.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -67.01 172.97 3.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.0 t -127.19 166.86 16.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -48.1 -26.31 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.509 ' H ' HD12 ' A' ' 32' ' ' ILE . 5.4 mp -75.25 -61.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -51.66 -51.68 53.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' LEU . 4.8 mt -54.18 -67.13 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' LEU . 4.1 t -37.35 -32.37 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 34' ' ' LEU . 30.8 mtt-85 -80.87 -45.12 17.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 34' ' ' LEU . 18.6 mt -59.71 -38.33 81.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -47.26 -46.42 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.929 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.94 -50.82 63.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.92 -29.01 68.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.929 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.89 22.87 14.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.484 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.454 HG23 ' HD2' ' A' ' 44' ' ' LYS . 33.7 mt -96.07 102.16 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 0.0 111.138 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -86.62 51.01 2.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.454 ' HD2' HG23 ' A' ' 42' ' ' ILE . 29.9 mttm -115.68 107.18 14.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.632 ' O ' HG22 ' A' ' 45' ' ' THR . 24.8 m -89.68 35.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.416 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 1.7 t70 -154.82 141.04 12.96 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.621 0.724 . . . . 0.0 110.872 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 46' ' ' ASP . 53.6 Cg_endo -69.8 -27.13 26.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.619 2.213 . . . . 0.0 112.338 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.1 m -68.18 -49.8 58.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.4 p -54.26 -53.41 54.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.096 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 mp -43.45 125.67 4.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 52' ' ' GLU . 25.9 p -99.08 162.53 13.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 51' ' ' THR . 12.3 mt-10 -34.49 -46.17 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -57.73 -52.41 65.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.43 -36.3 83.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.468 HG13 ' CD1' ' A' ' 16' ' ' TYR . 84.3 t -64.12 -58.07 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.1 ptm85 -58.85 -42.36 89.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -58.87 -38.47 78.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.44 ' CE2' HD13 ' A' ' 19' ' ' LEU . 50.3 t80 -71.88 -47.37 53.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.52 -34.53 36.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.8 mtp85 -59.24 -43.06 92.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.2 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.954 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.744 0.307 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -91.81 -35.54 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -57.57 -38.69 75.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.57 -56.54 20.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' TYR . 7.2 mp -59.47 -53.64 55.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.756 ' CD1' HG13 ' A' ' 55' ' ' VAL . 3.8 t80 -35.15 -48.44 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -52.4 -56.4 15.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -54.77 -49.86 69.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.27 -46.45 72.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 63.8 t -110.36 79.64 1.72 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.738 . . . . 0.0 111.171 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 158.59 56.41 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.306 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.41 ' HG ' ' CG ' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -118.56 106.97 13.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 m -129.8 -39.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -85.73 24.06 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.69 13.63 46.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.458 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.2 p -152.78 128.76 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.179 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.41 ' CG ' ' HG ' ' A' ' 22' ' ' LEU . 86.2 mtt180 -92.09 99.66 12.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -133.3 133.97 43.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -52.33 -179.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.4 t -132.35 158.57 41.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.559 ' HA ' HD12 ' A' ' 34' ' ' LEU . 7.9 pt-20 -45.46 -34.73 3.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.9 mm -70.35 -59.32 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.121 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -50.3 -59.57 3.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.705 ' CD2' HG22 ' A' ' 45' ' ' THR . 5.4 mt -40.85 -67.12 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 t -38.6 -35.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.4 mtm180 -79.32 -41.04 28.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 34' ' ' LEU . 22.7 mt -57.73 -46.78 83.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.02 -54.93 9.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -43.68 -50.1 7.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.6 mt -57.93 -31.12 66.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.6 23.68 11.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.658 HG22 ' HB2' ' A' ' 44' ' ' LYS . 43.5 mt -77.17 -53.61 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 0.0 111.137 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 62.46 43.08 8.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.658 ' HB2' HG22 ' A' ' 42' ' ' ILE . 33.9 mtmt -135.31 132.08 37.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.705 HG22 ' CD2' ' A' ' 34' ' ' LEU . 77.6 p -115.22 49.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -155.43 130.21 5.04 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 0.85 5.05 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.356 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -103.83 -39.36 6.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.1 p -67.5 -45.32 76.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -51.47 123.18 9.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.9 p -90.66 166.58 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -40.73 -50.57 3.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -53.85 -45.6 70.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.448 ' OE2' HG23 ' A' ' 42' ' ' ILE . 4.8 mm-40 -63.5 -50.61 68.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.756 HG13 ' CD1' ' A' ' 16' ' ' TYR . 86.8 t -54.14 -58.28 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 11.5 ptm180 -49.49 -36.37 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 18.5 mtpp -71.77 -40.34 69.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.49 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 79.0 t80 -83.53 20.53 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.58 -31.12 5.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -91.82 -37.59 12.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.823 HD22 ' C ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.0 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.797 0.332 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -85.63 -33.36 21.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -53.58 -39.63 64.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.87 -44.07 81.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 16' ' ' TYR . 14.3 mt -71.34 -60.76 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.597 ' CD1' HG13 ' A' ' 55' ' ' VAL . 9.2 t80 -36.95 -48.82 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -47.48 -50.71 22.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 19' ' ' LEU . 23.3 ttt85 -62.65 -70.35 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.683 ' H ' HD12 ' A' ' 19' ' ' LEU . 6.8 mp -33.99 -45.07 0.19 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.4 t -107.33 81.34 1.02 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.672 0.748 . . . . 0.0 111.142 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 19' ' ' LEU . 54.2 Cg_endo -69.72 161.74 44.75 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.662 2.242 . . . . 0.0 112.38 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.494 HD11 ' N ' ' A' ' 26' ' ' VAL . 6.7 tp -124.52 99.11 6.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.3 m -117.16 -33.15 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -99.88 33.91 2.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 50.54 25.33 8.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.496 HG12 ' HG3' ' A' ' 28' ' ' GLU . 67.8 t -155.09 120.06 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 111.122 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.417 ' CG ' HD13 ' A' ' 22' ' ' LEU . 27.7 mtt180 -77.34 119.29 20.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.496 ' HG3' HG12 ' A' ' 26' ' ' VAL . 49.9 mt-10 -152.69 144.51 23.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -69.54 151.03 46.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 32' ' ' ILE . 31.3 t -97.32 153.06 18.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.758 ' HA ' HD12 ' A' ' 34' ' ' LEU . 10.7 pt-20 -35.61 -31.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 30' ' ' SER . 22.9 mt -71.95 -65.94 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -42.26 -48.54 4.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' A' ' 31' ' ' GLU . 4.0 mt -54.57 -63.74 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 t -38.73 -41.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.435 ' CD ' ' O ' ' A' ' 32' ' ' ILE . 2.3 mpt_? -71.95 -65.54 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.1 mt -40.93 -35.67 0.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -52.12 -44.42 64.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -53.04 -40.79 64.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.6 mt -72.05 -21.38 61.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.65 18.41 35.34 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 57.6 mt -89.27 92.53 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 111.162 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -83.15 47.93 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -117.66 108.28 15.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.8 m -74.18 -46.73 40.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -71.76 137.97 82.84 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.594 0.711 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -12.68 33.44 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.671 2.247 . . . . 0.0 112.391 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.6 -48.07 12.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.8 p -50.19 -38.48 40.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.8 mp -53.61 141.22 26.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 52' ' ' GLU . 12.3 t -101.28 147.42 26.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' THR . 11.9 pt-20 -35.4 -36.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 51' ' ' THR . 24.3 tt0 -60.71 -60.19 4.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.48 ' N ' ' OE1' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -58.03 -41.79 83.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.597 HG13 ' CD1' ' A' ' 16' ' ' TYR . 85.2 t -52.71 -56.33 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -54.63 -42.43 71.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -61.6 -55.19 33.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.482 ' CE2' HD23 ' A' ' 19' ' ' LEU . 52.9 t80 -56.17 -16.01 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.3 16.31 18.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -102.99 -60.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.1 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.766 0.317 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 13' ' ' LYS . 20.2 p-10 -82.13 -50.14 9.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' ASP . 16.3 mtpp -37.01 -55.26 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.24 -57.43 8.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' TYR . 45.4 mt -50.73 -58.42 5.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' LEU . 9.0 t80 -35.14 -60.48 0.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -42.34 -53.76 4.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -57.76 -45.59 85.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.914 HD13 ' CE2' ' A' ' 58' ' ' PHE . 22.5 mt -57.59 -46.58 83.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 27' ' ' ARG . 94.3 t -108.76 81.18 1.4 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.696 0.76 . . . . 0.0 111.134 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 156.62 62.9 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.654 2.236 . . . . 0.0 112.34 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.732 HD12 ' HE ' ' A' ' 27' ' ' ARG . 1.1 tt -127.2 101.37 6.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.3 m -126.52 -27.34 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -98.89 28.96 4.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.4 11.42 9.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.2 t -151.14 124.31 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.793 0.33 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.732 ' HE ' HD12 ' A' ' 22' ' ' LEU . 97.8 mtt180 -88.3 127.38 35.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -155.53 137.65 14.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -63.35 173.41 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -122.98 163.67 19.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.576 ' HA ' HD12 ' A' ' 34' ' ' LEU . 5.1 pt-20 -43.78 -30.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.8 mt -74.4 -62.05 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -47.83 -53.64 14.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 31' ' ' GLU . 5.8 mt -48.02 -65.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 t -43.11 -35.3 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -75.55 -32.0 60.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 34' ' ' LEU . 10.5 mt -82.11 -24.65 35.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -64.73 -56.24 14.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -45.25 -49.7 12.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.2 mt -58.37 -33.58 69.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.14 19.04 9.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.4 mt -105.16 98.3 6.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.845 0.355 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -89.93 46.04 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -102.81 89.17 3.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.0 m -58.93 -49.33 78.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -68.62 135.66 90.46 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.589 0.709 . . . . 0.0 110.845 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -13.78 34.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.658 2.238 . . . . 0.0 112.315 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.2 m -81.01 -47.96 12.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.5 p -47.86 -49.12 30.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.2 mp -38.91 140.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 52' ' ' GLU . 61.3 p -114.76 157.86 22.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 51' ' ' THR . 11.1 mt-10 -34.37 -50.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -54.68 -56.12 22.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.29 -47.35 83.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.5 t -54.81 -57.81 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -46.4 -47.25 18.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -62.92 -49.18 75.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.914 ' CE2' HD13 ' A' ' 19' ' ' LEU . 39.9 t80 -56.05 -48.35 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -54.57 -52.94 60.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 59' ' ' ALA . 61.5 mtt180 -35.47 -52.04 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 60' ' ' ARG . 56.7 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.0 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.765 0.317 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -91.76 -48.22 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -43.71 -51.29 7.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.57 -51.13 66.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.5 mt -57.46 -48.11 80.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -45.64 -58.02 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -40.19 -53.87 2.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -61.22 -47.65 85.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.508 HD13 ' CD2' ' A' ' 58' ' ' PHE . 11.6 mt -52.0 -48.45 64.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.1 t -109.72 80.41 1.64 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.597 0.713 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 168.01 22.77 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.635 2.223 . . . . 0.0 112.336 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.667 HD11 ' N ' ' A' ' 26' ' ' VAL . 13.5 tp -128.17 99.12 5.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.5 m -107.89 -34.21 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -105.58 36.45 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 50.96 21.75 5.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.529 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.667 ' N ' HD11 ' A' ' 22' ' ' LEU . 92.0 t -147.44 119.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 111.139 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.5 ' HG3' HD13 ' A' ' 22' ' ' LEU . 62.7 mtt-85 -76.06 134.32 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -156.03 163.7 39.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -92.05 170.39 9.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 31' ' ' GLU . 13.7 t -122.12 152.04 40.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.494 ' HA ' HD12 ' A' ' 34' ' ' LEU . 8.7 pt-20 -36.0 -40.32 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.407 HG22 ' NE ' ' A' ' 36' ' ' ARG . 49.8 mt -64.81 -62.92 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -46.05 -56.7 5.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 31' ' ' GLU . 5.3 mt -48.68 -65.74 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 t -41.77 -35.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.407 ' NE ' HG22 ' A' ' 32' ' ' ILE . 49.1 mtm180 -76.82 -43.49 36.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.408 HD21 ' CD1' ' A' ' 58' ' ' PHE . 41.3 mt -61.56 -43.63 98.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -45.06 -52.18 9.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -48.17 -47.72 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.0 -31.67 73.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.3 22.33 8.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.586 HG23 ' HD2' ' A' ' 44' ' ' LYS . 39.9 mt -98.07 97.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 111.118 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -88.2 45.45 1.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.586 ' HD2' HG23 ' A' ' 42' ' ' ILE . 27.4 mttp -110.74 112.95 25.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 43.5 p -81.36 -33.92 32.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.424 ' CG ' ' H ' ' A' ' 48' ' ' SER . 5.8 t0 -77.17 125.48 86.55 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.566 0.698 . . . . 0.0 110.891 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 2.9 3.14 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.308 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.424 ' H ' ' CG ' ' A' ' 46' ' ' ASP . 2.9 t -102.94 -38.17 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.885 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.406 HG23 ' OD2' ' A' ' 46' ' ' ASP . 22.7 p -55.92 -53.56 55.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mp -39.53 140.98 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.48 HG22 ' HG2' ' A' ' 54' ' ' GLU . 8.0 t -102.47 160.82 14.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -39.46 -43.25 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.43 -41.78 85.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.48 ' HG2' HG22 ' A' ' 51' ' ' THR . 42.8 mm-40 -77.25 -33.63 55.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.6 t -66.51 -51.56 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 11.9 ptm180 -55.91 -45.36 78.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 47.9 mtmt -61.67 -42.4 98.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.508 ' CD2' HD13 ' A' ' 19' ' ' LEU . 24.7 t80 -55.15 -39.75 69.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.66 -38.39 25.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -40.46 -42.98 1.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.475 ' C ' HD12 ' A' ' 61' ' ' LEU . 2.3 pp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.7 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.827 0.346 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.59 -52.28 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -45.2 -46.54 12.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.75 -48.51 29.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.05 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.437 HD22 ' HB1' ' A' ' 59' ' ' ALA . 6.3 mp -70.7 -57.12 5.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.733 ' CD1' HG13 ' A' ' 55' ' ' VAL . 3.0 t80 -36.72 -41.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -65.94 -58.87 4.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -52.31 -47.39 65.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.789 HD13 ' CE2' ' A' ' 58' ' ' PHE . 49.7 mt -58.66 -50.29 74.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.6 t -116.16 81.17 10.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.578 0.704 . . . . 0.0 111.148 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 165.96 29.16 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.587 HD12 ' HE ' ' A' ' 27' ' ' ARG . 1.1 tt -129.19 103.32 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 24' ' ' ASN . 24.1 m -125.81 -41.23 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.409 ' N ' HG23 ' A' ' 23' ' ' VAL . 5.9 m-20 -81.62 15.58 2.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.434 ' C ' HD21 ' A' ' 22' ' ' LEU . . . 72.47 1.2 51.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.5 p -140.06 126.92 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.779 0.323 . . . . 0.0 111.153 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.587 ' HE ' HD12 ' A' ' 22' ' ' LEU . 95.5 mtt180 -89.09 119.63 29.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -138.14 137.99 38.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.437 ' HB2' HD21 ' A' ' 34' ' ' LEU . 85.4 m-85 -68.98 -177.75 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.2 m -135.21 157.01 48.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.5 ' HA ' HD12 ' A' ' 34' ' ' LEU . 11.1 pt-20 -41.15 -41.8 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.8 mm -64.14 -63.93 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -48.19 -49.02 34.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 31' ' ' GLU . 4.1 mt -58.68 -60.14 4.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 t -45.69 -21.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -95.48 -33.23 12.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.549 ' HA ' HD12 ' A' ' 40' ' ' LEU . 14.9 mt -70.74 -35.43 72.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -49.26 -53.96 19.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -45.81 -49.97 14.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 37' ' ' LEU . 12.2 mt -58.11 -27.09 63.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.22 22.34 30.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.647 HG22 ' HB2' ' A' ' 44' ' ' LYS . 89.4 mt -80.05 -44.81 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 111.099 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 39.77 53.36 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.647 ' HB2' HG22 ' A' ' 42' ' ' ILE . 19.4 mttm -124.67 105.29 9.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.9 p -82.71 44.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.417 ' OD2' HG23 ' A' ' 49' ' ' THR . 9.5 t0 -157.59 124.14 2.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.589 0.709 . . . . 0.0 110.854 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 1.73 4.15 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 0.0 112.362 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m -99.77 -37.04 9.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.417 HG23 ' OD2' ' A' ' 46' ' ' ASP . 43.4 p -65.34 -51.93 57.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mp -41.65 128.02 3.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.457 ' HG1' ' CD ' ' A' ' 54' ' ' GLU . 26.1 p -96.08 160.54 14.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 51' ' ' THR . 28.6 mt-10 -34.52 -50.8 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -55.03 -47.77 74.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.457 ' CD ' ' HG1' ' A' ' 51' ' ' THR . 2.4 mp0 -69.84 -28.89 66.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.733 HG13 ' CD1' ' A' ' 16' ' ' TYR . 89.4 t -70.86 -51.79 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -63.43 -40.22 96.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -63.14 -45.91 89.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.789 ' CE2' HD13 ' A' ' 19' ' ' LEU . 15.1 t80 -59.65 -33.31 71.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -70.46 -43.31 70.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 59' ' ' ALA . 16.5 mmt180 -35.6 -53.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.4 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.574 ' O ' HD13 ' A' ' 15' ' ' LEU . 92.2 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.807 0.337 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -104.67 -42.03 5.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -53.22 -41.63 65.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.7 -62.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 11' ' ' THR . 9.6 mp -50.13 -46.8 54.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.612 ' CD1' HG13 ' A' ' 55' ' ' VAL . 4.9 t80 -39.58 -58.63 1.26 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -50.0 -44.34 51.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -62.63 -45.11 94.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.61 -44.85 92.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.8 t -111.7 80.88 3.06 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.71 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 152.24 69.28 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.664 2.243 . . . . 0.0 112.328 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.549 ' CD1' ' C ' ' A' ' 26' ' ' VAL . 12.3 tp -107.22 89.01 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.1 m -109.69 -30.53 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.497 ' O ' HG12 ' A' ' 26' ' ' VAL . 14.7 m-20 -104.98 37.86 2.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.94 34.32 22.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.549 ' C ' ' CD1' ' A' ' 22' ' ' LEU . 8.1 p -165.94 135.33 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 111.137 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.449 ' HG3' HD13 ' A' ' 22' ' ' LEU . 29.3 mtm180 -86.42 37.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -66.57 129.96 41.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -60.87 173.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -118.43 156.0 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.582 ' HA ' HD12 ' A' ' 34' ' ' LEU . 5.2 pt-20 -45.19 -36.68 3.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.7 mt -71.52 -51.8 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -56.26 -37.0 69.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.598 HD22 HG22 ' A' ' 45' ' ' THR . 4.0 mt -72.89 -60.73 2.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -44.31 -37.47 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.546 ' HD3' HD11 ' A' ' 61' ' ' LEU . 3.0 ptp180 -78.51 -29.9 46.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 34' ' ' LEU . 8.0 mt -66.81 -45.52 78.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -44.22 -52.85 7.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.471 ' N ' ' HE2' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -42.33 -50.68 5.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mt -63.6 -32.07 73.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.69 26.33 8.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.447 HG22 ' O ' ' A' ' 42' ' ' ILE . 39.0 mt -98.72 85.85 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 111.146 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -70.91 68.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.492 ' HB3' HD12 ' A' ' 50' ' ' LEU . 17.6 mttp -145.45 129.94 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.598 HG22 HD22 ' A' ' 34' ' ' LEU . 81.2 p -118.62 18.3 13.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.64 133.61 22.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 110.83 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -1.36 8.31 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.1 m -109.82 -37.53 5.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.1 p -59.28 -53.02 63.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.492 HD12 ' HB3' ' A' ' 44' ' ' LYS . 6.0 mp -44.43 136.29 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 54' ' ' GLU . 8.8 t -104.38 154.95 19.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 53' ' ' GLU . 15.3 pt-20 -36.37 -47.62 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.481 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 15.4 tt0 -53.7 -44.85 70.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 51' ' ' THR . 92.7 mt-10 -74.76 -37.8 62.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.612 HG13 ' CD1' ' A' ' 16' ' ' TYR . 92.5 t -58.61 -55.66 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 9.3 ptm180 -52.92 -46.37 68.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 26.6 mtmt -64.24 -45.8 86.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.28 -37.62 86.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.37 -39.45 59.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.3 mtt-85 -55.08 -62.58 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.546 HD11 ' HD3' ' A' ' 36' ' ' ARG . 1.1 pp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.4 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.764 0.316 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -88.83 -43.35 11.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -50.25 -51.39 44.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.61 -48.61 66.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.31 -43.32 96.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -49.78 -59.2 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -43.38 -54.4 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -59.68 -52.13 66.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.8 mt -52.12 -38.98 59.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.5 t -114.92 80.78 6.95 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 0.0 111.114 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 168.03 22.83 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.677 2.251 . . . . 0.0 112.36 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.475 HD22 ' HG3' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -93.84 111.96 23.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.9 m -124.1 131.86 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 56.04 39.04 30.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.19 23.49 59.82 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.8 p -153.47 151.15 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.136 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.475 ' HG3' HD22 ' A' ' 22' ' ' LEU . 88.4 mtt180 -109.28 119.04 38.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -135.18 138.76 43.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -72.87 113.19 9.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -59.53 170.55 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.645 ' HA ' HD12 ' A' ' 34' ' ' LEU . 2.3 tp10 -56.64 -43.54 80.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.2 mm -63.39 -34.51 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.488 ' OE1' ' CZ ' ' A' ' 58' ' ' PHE . 5.9 mm100 -70.84 -49.28 47.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.825 HD22 HG22 ' A' ' 45' ' ' THR . 4.0 mt -57.54 -64.25 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 34' ' ' LEU . 3.2 t -37.24 -28.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 34' ' ' LEU . 34.6 mtp85 -85.19 -42.62 14.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.558 ' HG ' ' CE1' ' A' ' 58' ' ' PHE . 36.5 mt -61.22 -32.66 72.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 41' ' ' GLY . 21.7 mtmm -65.14 -49.73 68.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -44.09 -49.33 8.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.5 mt -63.82 -25.74 68.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 95.26 18.38 33.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.461 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.64 HG22 ' HB2' ' A' ' 44' ' ' LYS . 44.6 mt -69.51 -50.67 48.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 111.089 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 62.12 41.45 10.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.64 ' HB2' HG22 ' A' ' 42' ' ' ILE . 20.8 mtmm -127.76 109.05 11.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.825 HG22 HD22 ' A' ' 34' ' ' LEU . 79.4 p -94.55 29.5 2.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.405 ' HB3' HG23 ' A' ' 49' ' ' THR . 15.1 t70 -136.43 130.59 18.13 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.655 0.74 . . . . 0.0 110.854 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -2.65 10.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.331 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -104.85 -30.12 10.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.436 ' O ' ' CD ' ' A' ' 44' ' ' LYS . 70.7 p -75.03 -12.92 60.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -83.52 133.33 34.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 52' ' ' GLU . 14.6 t -102.01 160.52 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' THR . 37.2 mt-10 -37.87 -40.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -61.17 -50.33 73.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.45 ' HB3' HD13 ' A' ' 42' ' ' ILE . 6.1 mm-40 -71.32 -26.26 62.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.6 t -73.01 -51.33 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 24.0 ptt180 -59.52 -42.95 93.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.478 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 20.1 mtpp -65.01 -45.23 86.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.558 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 8.6 t80 -64.2 -42.68 96.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.84 -38.59 86.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -40.69 -49.58 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.0 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.737 0.303 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.27 -44.06 11.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -64.04 -44.34 92.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.04 -57.86 5.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' TYR . 9.5 mp -63.72 -48.06 78.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.553 ' CD1' HG13 ' A' ' 55' ' ' VAL . 3.7 t80 -35.98 -42.87 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -63.42 -54.11 41.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.1 mtp85 -56.28 -37.71 70.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.538 HD11 ' HA ' ' A' ' 59' ' ' ALA . 8.5 mt -66.64 -52.18 47.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.3 t -109.8 74.86 0.78 Allowed Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.582 0.706 . . . . 0.0 111.1 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 161.35 46.27 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.616 HD11 ' C ' ' A' ' 25' ' ' GLY . 6.4 tp -102.86 98.06 8.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.622 HG23 ' N ' ' A' ' 24' ' ' ASN . 29.4 m -104.45 -52.39 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.622 ' N ' HG23 ' A' ' 23' ' ' VAL . 26.3 m120 -99.64 40.65 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.616 ' C ' HD11 ' A' ' 22' ' ' LEU . . . 56.83 15.29 12.28 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.568 ' N ' HD11 ' A' ' 22' ' ' LEU . 51.8 t -133.69 135.18 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.532 ' HG2' HD13 ' A' ' 22' ' ' LEU . 14.5 mmt180 -91.97 33.6 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.5 ' H ' HG12 ' A' ' 26' ' ' VAL . 11.0 pt-20 -78.03 127.8 32.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -50.64 171.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 t -106.43 164.34 12.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.751 ' HA ' HD12 ' A' ' 34' ' ' LEU . 8.7 pt-20 -49.6 -34.39 17.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.4 mt -71.77 -52.59 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 19' ' ' LEU . 92.9 mt-30 -54.25 -52.68 60.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 31' ' ' GLU . 5.2 mt -47.94 -67.46 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' LEU . 2.3 t -38.17 -35.06 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -77.84 -49.84 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.7 mt -51.51 -35.94 42.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -64.7 -28.02 69.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.83 -48.81 67.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.64 -32.95 74.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.62 23.29 6.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 65.0 mt -93.6 88.47 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.348 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -72.83 67.69 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.0 mttt -135.81 167.94 20.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.8 p -132.15 -39.41 1.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.413 ' O ' HD23 ' A' ' 50' ' ' LEU . 2.9 m-20 -89.7 142.71 29.47 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.542 0.687 . . . . 0.0 110.943 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -21.2 33.74 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 95.2 p -70.57 -37.35 73.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.3 p -67.23 -30.1 69.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.435 ' CD1' ' HB3' ' A' ' 54' ' ' GLU . 3.5 mm? -54.5 145.06 19.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.672 ' O ' HG23 ' A' ' 55' ' ' VAL . 30.1 p -109.32 168.97 9.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -52.09 -40.53 61.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.422 ' HG2' ' NZ ' ' A' ' 57' ' ' LYS . 7.5 tt0 -62.93 -50.12 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.493 ' N ' ' CD ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -64.69 -37.35 87.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 51' ' ' THR . 85.0 t -65.13 -59.01 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -54.39 -24.68 20.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.422 ' NZ ' ' HG2' ' A' ' 53' ' ' GLU . 19.7 mtmm -83.63 -49.14 9.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.401 ' HA ' HD23 ' A' ' 61' ' ' LEU . 48.0 t80 -64.21 -23.67 67.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.538 ' HA ' HD11 ' A' ' 19' ' ' LEU . . . -75.72 -9.01 58.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.479 ' HG2' ' N ' ' A' ' 61' ' ' LEU . 2.4 ptm180 -89.99 -35.5 15.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.479 ' N ' ' HG2' ' A' ' 60' ' ' ARG . 4.2 mm? . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.743 ' O ' HD23 ' A' ' 15' ' ' LEU . 34.5 m . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.793 0.33 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -81.48 -57.93 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -42.16 -52.88 4.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.37 92.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 11' ' ' THR . 0.6 OUTLIER -60.19 -51.05 71.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.412 ' HA ' HD12 ' A' ' 19' ' ' LEU . 12.1 t80 -61.98 -52.29 64.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -49.07 -40.46 31.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -76.73 -46.08 26.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 16' ' ' TYR . 6.1 mt -46.24 -50.1 16.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -108.39 82.08 1.52 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.647 0.736 . . . . 0.0 111.107 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 149.74 67.2 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.685 2.256 . . . . 0.0 112.369 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.517 HD21 ' N ' ' A' ' 26' ' ' VAL . 1.3 tm? -124.85 102.62 7.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.1 m -130.59 -31.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -82.7 -9.05 59.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.7 12.82 52.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.517 ' N ' HD21 ' A' ' 22' ' ' LEU . 11.3 t -147.12 107.42 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.133 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.506 ' CA ' HD23 ' A' ' 22' ' ' LEU . 73.6 mtt180 -75.93 115.02 15.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -147.73 143.74 27.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -67.39 171.14 6.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 t -103.75 166.32 10.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.467 ' HA ' HD12 ' A' ' 34' ' ' LEU . 3.5 tt0 -49.59 -52.77 27.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 mm -60.78 -44.76 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.165 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.701 ' O ' HD12 ' A' ' 37' ' ' LEU . 67.0 mt-30 -58.43 -34.59 70.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' LEU . 6.3 mt -77.24 -66.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t -44.43 -31.26 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -82.7 -29.27 29.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.701 HD12 ' O ' ' A' ' 33' ' ' GLN . 5.6 mt -73.81 -38.34 64.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -45.19 -51.71 10.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.12 -53.25 6.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.658 HD11 HD11 ' A' ' 61' ' ' LEU . 11.4 mt -59.56 -30.3 68.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.95 23.78 11.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.476 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.481 HG22 ' O ' ' A' ' 42' ' ' ILE . 90.6 mt -94.11 86.07 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 111.162 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -79.95 44.99 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -119.04 103.67 9.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 57.6 m -77.06 -46.76 22.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -57.4 126.45 74.77 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.595 0.712 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -3.27 11.69 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.6 m -96.1 -44.35 7.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 34.3 p -53.38 -46.02 69.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.117 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.9 mp -48.55 134.33 15.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.499 ' O ' HG23 ' A' ' 55' ' ' VAL . 67.3 p -100.07 179.44 4.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -50.46 -45.24 55.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -60.42 -56.39 22.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -53.75 -43.12 68.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 51' ' ' THR . 96.2 t -64.11 -59.63 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.089 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -45.06 -44.5 10.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -63.8 -65.73 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -40.0 -49.3 2.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -49.53 -51.49 36.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' LEU . 65.7 mtp180 -34.71 -65.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.658 HD11 HD11 ' A' ' 40' ' ' LEU . 7.7 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -147.5 121.82 9.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.903 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -93.36 128.14 39.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.15 -131.75 1.41 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.2 p -46.06 154.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.866 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.9 p -84.16 99.67 10.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.43 -163.52 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' THR . 52.8 p -98.14 137.54 36.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.929 0.395 . . . . 0.0 110.856 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' SER . 10.5 t 34.87 40.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.091 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -91.05 86.65 6.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.7 m -124.34 -60.41 1.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.69 -47.49 13.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.802 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -41.96 -55.54 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.46 -53.37 30.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 16' ' ' TYR . 33.8 mt -55.73 -50.29 70.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.554 ' CD1' HG13 ' A' ' 55' ' ' VAL . 7.4 t80 -37.11 -47.76 0.77 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -55.44 -58.04 9.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -48.94 -51.85 27.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.727 HD13 ' CE2' ' A' ' 58' ' ' PHE . 18.0 mt -53.95 -56.78 14.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.492 HG21 ' CE1' ' A' ' 29' ' ' PHE . 20.6 t -109.48 81.17 1.72 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 175.39 8.16 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.524 HD11 ' N ' ' A' ' 26' ' ' VAL . 8.1 tp -127.35 97.87 5.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.7 m -122.39 -31.54 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -93.04 11.71 26.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.4 13.34 79.97 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.524 ' N ' HD11 ' A' ' 22' ' ' LEU . 6.3 p -154.48 117.04 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.165 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -74.51 116.58 15.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.507 ' HG3' HG22 ' A' ' 26' ' ' VAL . 78.9 mt-10 -147.57 133.17 18.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.492 ' CE1' HG21 ' A' ' 20' ' ' VAL . 23.8 m-85 -56.35 178.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.5 m -126.43 161.04 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.466 ' HA ' HD12 ' A' ' 34' ' ' LEU . 13.8 pt-20 -50.62 -20.42 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.579 ' H ' HD12 ' A' ' 32' ' ' ILE . 4.6 mp -82.33 -56.01 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -56.49 -48.86 76.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' ARG . 4.8 mt -54.25 -66.47 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 t -38.36 -27.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' LEU . 56.6 mtm180 -86.99 -41.7 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 34' ' ' LEU . 19.1 mt -60.67 -44.81 96.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' CD ' ' O ' ' A' ' 34' ' ' LEU . 0.8 OUTLIER -46.52 -52.14 13.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -43.75 -44.44 6.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.2 mt -69.01 -31.77 70.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.21 19.21 9.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.469 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 58.5 mt -94.74 90.59 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -76.56 64.7 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.835 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -128.41 146.72 50.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.4 m -112.9 -47.16 3.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -84.89 143.33 40.09 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 -8.16 22.91 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.723 2.282 . . . . 0.0 112.329 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.9 m -74.75 -52.18 12.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.8 p -57.08 -31.59 65.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.157 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.96 147.21 15.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' GLU . 9.8 t -123.89 152.84 41.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 51' ' ' THR . 43.2 mt-10 -34.47 -43.1 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -59.84 -46.46 89.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 51' ' ' THR . 6.3 mm-40 -72.02 -43.21 65.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.554 HG13 ' CD1' ' A' ' 16' ' ' TYR . 84.2 t -55.56 -55.9 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -55.53 -34.12 64.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -70.86 -51.94 23.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.727 ' CE2' HD13 ' A' ' 19' ' ' LEU . 21.9 t80 -57.15 -29.77 63.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.46 -42.18 18.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -49.58 -56.52 9.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.826 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.479 HD12 ' C ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -50.27 -28.46 7.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -103.14 106.86 17.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.0 mt -118.66 113.41 41.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -81.42 143.92 52.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.883 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 -32.97 17.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.339 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.1 97.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.5 p -117.21 68.46 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.13 103.54 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.531 ' O ' HG23 ' A' ' 69' ' ' THR . 9.0 t -111.84 115.83 29.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.451 ' O ' ' C ' ' A' ' 71' ' ' GLN . 41.1 m95 -90.09 94.29 9.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 70' ' ' TRP . 3.8 mp0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 m -141.99 175.46 9.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.85 0.357 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -118.47 153.7 33.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.43 -159.13 15.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.511 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -94.32 109.93 21.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.911 0.386 . . . . 0.0 110.833 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.0 m -125.43 172.6 9.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.02 55.27 0.56 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.446 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.9 m -114.22 161.97 17.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.937 0.399 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.4 t -88.98 -20.45 24.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 55.2 45.16 26.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.7 m -129.22 -55.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.49 -42.78 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -65.86 -43.52 88.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.25 -59.62 4.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.19 -45.89 89.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -50.04 -59.38 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -45.17 -43.05 9.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -71.56 -39.28 70.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.616 HD13 ' CE2' ' A' ' 58' ' ' PHE . 68.7 mt -62.45 -44.36 96.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.573 HG21 ' CE1' ' A' ' 29' ' ' PHE . 58.4 t -122.34 80.61 45.47 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.647 0.737 . . . . 0.0 111.125 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 152.22 69.75 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.525 HD12 ' N ' ' A' ' 26' ' ' VAL . 6.5 tp -87.22 58.86 5.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.7 m -66.98 146.7 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 51.21 29.53 4.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.02 32.15 79.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.525 ' N ' HD12 ' A' ' 22' ' ' LEU . 2.7 p -158.0 113.5 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -79.53 145.18 33.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -171.77 141.16 1.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CE1' HG21 ' A' ' 20' ' ' VAL . 20.6 m-85 -65.28 157.55 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.474 ' N ' ' OE1' ' A' ' 33' ' ' GLN . 13.8 t -101.42 154.34 18.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.851 ' HA ' HD12 ' A' ' 34' ' ' LEU . 7.5 pt-20 -38.32 -39.73 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.4 mt -71.16 -55.05 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.474 ' OE1' ' N ' ' A' ' 30' ' ' SER . 34.6 mt-30 -50.32 -44.12 54.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' A' ' 31' ' ' GLU . 4.8 mt -57.29 -64.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 t -43.13 -27.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.7 mtt-85 -84.96 -35.66 21.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' LEU . 29.8 mt -66.24 -38.27 87.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -66.63 -43.54 84.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -53.97 -46.46 71.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.7 mt -62.68 -32.1 73.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.57 23.54 7.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.455 ' CG2' ' HD2' ' A' ' 44' ' ' LYS . 87.2 mt -80.09 -49.55 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 0.0 111.108 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.3 m80 62.98 49.98 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.455 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 16.8 mttp -130.41 146.66 52.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -109.25 -39.94 5.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -88.37 141.32 30.59 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.583 0.706 . . . . 0.0 110.849 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -4.59 14.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.33 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -85.75 -36.99 19.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.902 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.427 ' C ' ' HD3' ' A' ' 44' ' ' LYS . 21.7 p -63.42 -38.8 92.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -45.17 153.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.743 ' O ' HG23 ' A' ' 55' ' ' VAL . 72.1 p -118.59 -178.35 3.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -62.4 -39.25 92.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -69.82 -53.49 17.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -60.49 -34.03 73.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 51' ' ' THR . 20.4 t -63.77 -51.46 69.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.8 mtp85 -59.85 -34.96 73.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -72.26 -55.29 7.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.616 ' CE2' HD13 ' A' ' 19' ' ' LEU . 45.0 t80 -51.72 -51.49 55.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.462 ' HA ' HD11 ' A' ' 19' ' ' LEU . . . -60.58 -54.51 44.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 59' ' ' ALA . 36.9 mtp180 -34.75 -50.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 60' ' ' ARG . 32.9 mt -35.73 -50.31 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -95.3 107.28 19.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.8 mt -109.24 112.35 40.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.25 143.93 32.23 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.612 0.72 . . . . 0.0 110.853 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.422 ' HA ' ' CG1' ' A' ' 68' ' ' ILE . 53.8 Cg_endo -69.76 -28.02 25.75 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.649 2.233 . . . . 0.0 112.359 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.87 -38.26 90.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 51.6 p -117.04 68.39 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.422 ' CG1' ' HA ' ' A' ' 65' ' ' PRO . 19.3 mm -93.06 101.36 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.172 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.1 m -95.31 83.97 3.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -54.06 97.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.3 p -43.42 163.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.6 m -109.15 -51.06 2.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.74 98.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 m -102.35 40.66 1.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.825 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.0 t -95.64 111.19 23.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.55 140.94 1.12 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -101.21 106.98 18.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.907 0.384 . . . . 0.0 110.896 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 10' ' ' GLN . 8.9 t -119.35 -42.8 2.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.453 ' N ' HG23 ' A' ' 9' ' ' THR . 10.2 pt20 -51.65 90.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 9' ' ' THR . 18.3 p -133.64 -66.93 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -100.24 -39.87 7.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -63.43 -34.42 77.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.2 -49.31 77.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 mp -71.82 -48.96 42.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.595 ' CD1' HG13 ' A' ' 55' ' ' VAL . 2.1 t80 -47.53 -53.88 13.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -50.36 -57.2 8.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -50.76 -52.36 41.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.0 mt -55.7 -52.91 62.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.5 t -110.9 81.31 2.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.58 0.705 . . . . 0.0 111.186 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 153.19 69.24 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.323 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.473 HD12 ' HE ' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -119.54 110.23 16.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.0 m -131.43 -36.57 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -85.72 21.38 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.431 ' C ' HD21 ' A' ' 22' ' ' LEU . . . 65.64 9.64 45.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.408 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.7 p -153.93 122.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.809 0.338 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.473 ' HE ' HD12 ' A' ' 22' ' ' LEU . 95.6 mtt180 -82.45 144.96 30.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -158.48 138.84 12.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -72.14 163.26 28.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.6 t -119.39 164.45 15.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.555 ' HA ' HD12 ' A' ' 34' ' ' LEU . 12.2 pt-20 -49.62 -33.45 15.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.6 mt -70.75 -54.31 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -58.29 -51.51 69.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 31' ' ' GLU . 5.0 mt -52.0 -66.66 0.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 t -38.5 -35.97 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.414 ' NH2' ' HB3' ' A' ' 61' ' ' LEU . 72.8 mtp180 -77.46 -39.64 45.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 34' ' ' LEU . 26.5 mt -64.79 -34.57 78.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -53.52 -50.06 66.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -47.6 -46.18 28.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.6 mt -63.86 -25.44 68.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.47 21.45 24.4 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 56.1 mt -97.38 97.69 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.379 . . . . 0.0 111.11 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -82.5 52.05 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.9 mttp -118.73 111.3 18.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -93.1 43.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.428 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 4.6 t70 -157.63 141.0 11.13 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.619 0.724 . . . . 0.0 110.838 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 46' ' ' ASP . 54.1 Cg_endo -69.77 -20.42 34.82 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.328 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.8 m -87.89 -41.66 13.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.1 p -57.34 -17.96 14.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 mp -85.95 147.51 26.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 54' ' ' GLU . 66.8 p -107.41 160.32 15.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -38.61 -51.55 1.64 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -54.9 -42.21 71.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 51' ' ' THR . 75.7 mt-10 -73.93 -29.86 62.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.595 HG13 ' CD1' ' A' ' 16' ' ' TYR . 89.0 t -69.97 -52.12 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -60.59 -37.43 81.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -60.67 -48.6 81.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -59.37 -43.5 92.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.9 95.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.12 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -38.45 -48.85 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.414 ' HB3' ' NH2' ' A' ' 36' ' ' ARG . 13.4 mt -39.83 -48.89 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -103.12 113.25 26.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.9 mt -108.55 87.99 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -63.43 144.01 97.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.65 0.738 . . . . 0.0 110.826 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -28.8 24.6 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.37 97.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.9 p -117.32 68.49 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.116 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 69' ' ' THR . 26.0 mt -83.31 151.79 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.401 ' N ' HG22 ' A' ' 68' ' ' ILE . 71.5 p -120.81 100.93 7.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -78.52 -40.07 36.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -81.68 42.15 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 110.859 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m 40.48 42.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.17 80.49 0.36 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m -75.98 84.54 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.4 m -101.08 135.57 42.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.39 112.81 4.73 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m -158.91 157.91 32.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.968 0.413 . . . . 0.0 110.85 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 9' ' ' THR . 14.8 t -82.49 40.54 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -98.8 44.02 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.1 m -79.35 -61.23 2.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.459 ' HA ' HD12 ' A' ' 15' ' ' LEU . 11.2 p-10 -75.79 -54.06 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -38.57 -56.73 1.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.96 -52.66 48.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.105 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 12' ' ' ASP . 27.0 mt -54.61 -43.44 72.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.514 ' CD1' HG13 ' A' ' 55' ' ' VAL . 15.7 t80 -60.9 -58.64 7.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -50.24 -47.48 55.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -61.31 -46.51 89.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.8 mt -59.91 -51.92 67.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.433 HG21 ' CE1' ' A' ' 29' ' ' PHE . 56.5 t -121.92 79.37 41.44 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.618 0.723 . . . . 0.0 111.089 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 154.8 67.54 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.7 2.267 . . . . 0.0 112.396 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.719 HD22 ' HG3' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -76.66 119.63 20.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.42 ' N ' HD13 ' A' ' 22' ' ' LEU . 12.0 m -131.49 133.41 61.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 54.97 37.11 28.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.62 34.86 71.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.1 p -166.93 141.01 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.799 0.333 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.719 ' HG3' HD22 ' A' ' 22' ' ' LEU . 65.3 mtm180 -113.79 142.85 45.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -150.69 127.94 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.433 ' CE1' HG21 ' A' ' 20' ' ' VAL . 23.2 m-85 -57.53 162.48 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.3 m -105.01 163.62 12.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' A' ' 34' ' ' LEU . 8.6 pt-20 -52.86 -37.63 60.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.3 mt -73.12 -42.08 58.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -63.54 -36.02 82.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 31' ' ' GLU . 5.3 mt -72.61 -65.31 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 t -42.07 -36.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.407 ' HD3' HD13 ' A' ' 61' ' ' LEU . 2.3 ptp180 -79.27 -30.27 42.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.497 HD21 ' CD1' ' A' ' 58' ' ' PHE . 12.0 mt -69.12 -41.36 77.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -43.07 -48.27 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.23 -51.9 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.545 HD11 HD11 ' A' ' 61' ' ' LEU . 17.6 mt -60.69 -32.04 71.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.7 25.2 8.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 97.7 mt -95.99 93.1 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 111.177 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -80.67 44.45 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -111.7 145.55 39.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.6 p -109.13 -44.84 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.431 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 9.2 t70 -75.49 140.12 71.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.603 0.716 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.471 ' HG3' ' CB ' ' A' ' 27' ' ' ARG . 53.7 Cg_endo -69.79 -11.0 29.9 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -86.76 -42.26 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.4 p -51.92 -44.51 63.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mp -56.27 141.82 39.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -105.1 159.27 15.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -40.79 -48.53 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -51.07 -37.98 48.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -84.22 -35.03 23.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.514 HG13 ' CD1' ' A' ' 16' ' ' TYR . 73.6 t -59.09 -47.21 90.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -62.23 -42.86 99.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -66.23 -59.14 4.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.549 ' O ' HD12 ' A' ' 61' ' ' LEU . 38.9 t80 -46.71 -52.87 12.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.13 -49.35 76.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 -38.65 -37.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 58' ' ' PHE . 16.7 mt -48.02 -61.48 1.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -66.93 102.43 0.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.1 mt -115.23 117.99 57.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.572 ' O ' HG22 ' A' ' 67' ' ' THR . 57.7 m-20 -104.97 145.2 30.27 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.556 0.693 . . . . 0.0 110.925 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.471 ' HA ' ' CG1' ' A' ' 68' ' ' ILE . 53.7 Cg_endo -69.78 -38.0 8.36 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -41.94 -51.37 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 64' ' ' ASP . 4.7 t -64.84 -33.71 76.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.556 HG23 ' CD1' ' A' ' 70' ' ' TRP . 38.7 mm -53.94 104.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 69' ' ' THR . 19.4 m -134.64 41.34 2.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.556 ' CD1' HG23 ' A' ' 68' ' ' ILE . 59.4 p-90 -100.44 -37.7 8.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.429 ' HA ' ' CE3' ' A' ' 70' ' ' TRP . 13.7 pt20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -79.8 -53.09 7.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t 52.81 42.49 31.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.39 107.23 2.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 t -83.18 -47.03 12.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.1 p -151.19 153.36 34.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.39 61.32 0.44 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -110.85 110.65 21.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.899 0.38 . . . . 0.0 110.887 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 t -118.7 175.79 5.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.176 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 52.84 30.28 8.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.3 m -41.25 -50.25 3.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -101.14 -34.42 9.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -56.76 -27.31 59.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.491 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -65.94 -41.9 90.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.067 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.629 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -47.41 -38.07 12.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.579 ' CE1' HG13 ' A' ' 55' ' ' VAL . 2.7 m-85 -61.37 -61.97 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -37.96 -32.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.908 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 16' ' ' TYR . 58.3 mtt180 -89.18 -44.83 10.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.5 mt -60.17 -58.82 6.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.614 ' O ' HG13 ' A' ' 20' ' ' VAL . 7.1 p -109.8 79.03 1.34 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.658 0.742 . . . . 0.0 111.158 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 175.03 8.66 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.32 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.751 HD11 ' N ' ' A' ' 26' ' ' VAL . 11.2 tp -123.14 103.5 8.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.9 m -116.28 -29.42 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -96.63 -31.99 12.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.16 17.65 2.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.751 ' N ' HD11 ' A' ' 22' ' ' LEU . 6.2 p -155.75 122.04 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.342 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.458 ' HG3' HD13 ' A' ' 22' ' ' LEU . 34.1 mtt180 -79.55 81.17 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -110.49 141.92 42.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -66.25 -178.66 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.483 ' N ' ' OE1' ' A' ' 33' ' ' GLN . 2.9 m -135.93 159.68 40.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.526 ' HA ' HD12 ' A' ' 34' ' ' LEU . 7.0 pt-20 -39.04 -39.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.3 mt -63.21 -55.84 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.483 ' OE1' ' N ' ' A' ' 30' ' ' SER . 46.3 mt-30 -57.82 -52.75 64.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 31' ' ' GLU . 4.8 mt -51.98 -67.46 0.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' LEU . 2.8 t -36.82 -29.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 34' ' ' LEU . 74.2 mtt180 -85.69 -46.82 10.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' LEU . 15.3 mt -57.82 -35.05 70.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -60.58 -49.98 75.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -46.82 -51.66 16.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.4 mt -59.12 -33.3 70.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.74 23.42 6.84 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.414 HG22 ' HB2' ' A' ' 44' ' ' LYS . 58.0 mt -97.93 100.86 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.837 0.351 . . . . 0.0 111.149 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -80.49 50.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.414 ' HB2' HG22 ' A' ' 42' ' ' ILE . 25.7 mttp -120.58 131.24 54.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.5 p -112.52 33.92 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -151.83 138.79 12.17 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.6 0.714 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 0.17 6.04 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.26 . . . . 0.0 112.312 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.1 m -103.95 -41.93 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.408 ' C ' ' HD3' ' A' ' 44' ' ' LYS . 75.6 p -60.25 -23.54 64.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.123 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.523 HD22 ' OH ' ' A' ' 16' ' ' TYR . 5.0 mp -74.67 133.73 42.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 52' ' ' GLU . 14.7 t -92.34 155.46 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' THR . 31.8 mt-10 -34.28 -51.81 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -49.43 -47.91 47.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.812 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 51' ' ' THR . 0.3 OUTLIER -72.72 -37.6 67.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.579 HG13 ' CE1' ' A' ' 16' ' ' TYR . 87.4 t -56.33 -51.41 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.447 ' O ' ' CG ' ' A' ' 60' ' ' ARG . 87.1 mtt180 -55.56 -46.47 77.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -64.83 -61.86 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -47.89 -51.42 23.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.629 ' HB1' ' CB ' ' A' ' 15' ' ' LEU . . . -62.81 -45.83 90.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.12 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 8.8 mmt85 -44.45 -39.93 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.822 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.7 mt -43.11 -53.45 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.405 ' O ' HD12 ' A' ' 15' ' ' LEU . 14.1 t-20 -118.02 113.15 21.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 72.7 mt -116.87 123.05 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -71.29 154.5 93.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.615 0.721 . . . . 0.0 110.855 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -14.87 36.75 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.67 2.246 . . . . 0.0 112.329 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.93 -21.24 34.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.3 p -91.02 13.6 16.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.425 HG23 ' NE1' ' A' ' 70' ' ' TRP . 30.1 mm -83.0 76.95 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.9 m -100.98 39.39 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.425 ' NE1' HG23 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -134.27 82.41 1.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.422 ' C ' ' CD ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -142.87 128.62 19.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -164.67 164.12 21.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.84 168.4 27.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 m -121.95 152.51 39.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.841 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.8 p -169.93 175.42 5.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.814 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.98 106.14 0.37 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t -117.02 157.07 26.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.972 0.415 . . . . 0.0 110.817 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.9 t -81.53 -23.84 37.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.126 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -97.94 32.22 2.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.948 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.6 m -41.0 -60.68 1.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.08 -35.28 15.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -52.93 -30.73 36.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.14 -35.87 81.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 18' ' ' ARG . 9.7 mt -77.0 -56.9 4.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.567 ' CG ' HG13 ' A' ' 55' ' ' VAL . 8.6 t80 -36.04 -48.77 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -60.54 -41.47 94.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' LEU . 24.0 ttm180 -75.1 -23.45 57.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.483 ' O ' ' NE2' ' A' ' 33' ' ' GLN . 14.6 mt -77.41 -38.38 49.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.443 HG21 ' CE2' ' A' ' 29' ' ' PHE . 35.4 t -131.71 76.77 73.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.604 0.716 . . . . 0.0 111.122 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 167.64 23.84 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.709 2.272 . . . . 0.0 112.323 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.68 HD21 ' N ' ' A' ' 26' ' ' VAL . 1.7 tt -130.73 100.99 5.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 24' ' ' ASN . 35.9 m -120.92 -40.74 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.431 ' N ' HG23 ' A' ' 23' ' ' VAL . 7.2 t-20 -70.19 -0.29 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.678 ' C ' HD21 ' A' ' 22' ' ' LEU . . . 90.47 7.21 67.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.68 ' N ' HD21 ' A' ' 22' ' ' LEU . 4.3 p -156.97 115.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 111.139 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.491 ' HG3' HD12 ' A' ' 22' ' ' LEU . 19.4 mtp180 -66.08 145.22 56.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -174.87 130.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.443 ' CE2' HG21 ' A' ' 20' ' ' VAL . 66.5 m-85 -62.64 177.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.8 t -116.55 159.45 22.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.811 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.888 ' HA ' HD12 ' A' ' 34' ' ' LEU . 7.0 pt-20 -50.55 -18.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.7 mm -87.17 -53.67 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 19' ' ' LEU . 79.7 mt-30 -55.55 -46.77 77.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.888 HD12 ' HA ' ' A' ' 31' ' ' GLU . 4.5 mt -47.56 -65.76 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' LEU . 3.5 t -37.56 -30.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' LEU . 17.3 mmm-85 -79.52 -43.4 23.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' LEU . 31.4 mt -64.11 -35.48 80.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -71.75 -45.42 61.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -51.09 -46.4 61.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -63.16 -32.44 73.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.969 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.68 14.45 7.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.523 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.462 ' CD1' ' HG2' ' A' ' 54' ' ' GLU . 93.8 mt -92.41 109.58 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.366 . . . . 0.0 111.182 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -87.92 50.39 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.419 ' HD3' HD22 ' A' ' 50' ' ' LEU . 24.7 mttt -121.11 140.82 51.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.4 p -114.52 -22.71 9.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.685 ' O ' HD23 ' A' ' 50' ' ' LEU . 14.0 m-20 -101.2 139.66 20.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.563 0.697 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -24.01 30.13 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.9 m -72.24 -26.87 62.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.8 p -90.13 18.84 5.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.699 HD13 ' OE1' ' A' ' 54' ' ' GLU . 1.4 mm? -99.42 149.25 23.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -117.49 150.6 38.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' THR . 17.0 mt-10 -36.27 -48.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -50.56 -46.31 57.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.699 ' OE1' HD13 ' A' ' 50' ' ' LEU . 53.0 mt-10 -76.1 -54.16 7.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.567 HG13 ' CG ' ' A' ' 16' ' ' TYR . 88.6 t -42.73 -46.2 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -69.92 -34.11 73.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -68.6 -58.76 3.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.646 ' O ' HD12 ' A' ' 61' ' ' LEU . 17.8 t80 -44.08 -41.19 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -74.98 -46.97 31.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.08 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 61' ' ' LEU . 22.3 mmt-85 -36.56 -44.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.646 HD12 ' O ' ' A' ' 58' ' ' PHE . 19.9 mt -35.73 -56.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -109.88 116.82 32.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.4 mt -111.02 119.77 60.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -43.85 149.17 0.67 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.57 0.7 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -33.59 16.27 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.72 2.28 . . . . 0.0 112.317 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.42 -47.51 85.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 68' ' ' ILE . 40.7 p -53.63 -45.54 70.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 67' ' ' THR . 26.0 mm -34.45 123.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.5 m -153.58 128.73 9.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 21.6 m95 -127.3 110.45 12.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.942 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -125.29 173.02 9.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.912 0.387 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -135.02 160.55 37.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.91 -81.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 m -106.71 151.85 24.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.37 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -132.69 171.55 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.79 53.18 2.13 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.0 m -133.41 161.86 33.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.948 0.404 . . . . 0.0 110.87 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 9' ' ' THR . 14.0 t -88.47 36.11 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.1 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -103.2 43.77 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.4 m -100.8 -65.31 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.432 ' OD2' ' NH1' ' A' ' 56' ' ' ARG . 12.4 m-20 -71.71 -47.89 50.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -47.62 -55.58 9.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -38.76 -59.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.149 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 16' ' ' TYR . 6.8 mp -46.55 -55.04 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.655 ' CD1' HG13 ' A' ' 55' ' ' VAL . 18.6 t80 -35.43 -60.43 0.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -48.6 -45.37 38.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -61.21 -47.61 85.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.541 HD13 ' CD2' ' A' ' 58' ' ' PHE . 21.2 mt -58.06 -47.71 82.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.517 HG22 HE22 ' A' ' 33' ' ' GLN . 9.7 t -119.67 80.1 23.42 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.599 0.714 . . . . 0.0 111.122 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 161.52 45.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.24 . . . . 0.0 112.321 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.456 HD12 ' NE ' ' A' ' 27' ' ' ARG . 1.4 tt -111.37 121.58 45.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.546 HG23 ' H ' ' A' ' 24' ' ' ASN . 7.7 m -135.05 -54.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.094 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.546 ' H ' HG23 ' A' ' 23' ' ' VAL . 89.0 m-20 -83.53 35.09 0.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.402 ' HA2' HD21 ' A' ' 22' ' ' LEU . . . 53.55 13.66 3.06 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.9 t -151.48 117.57 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 111.16 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.456 ' NE ' HD12 ' A' ' 22' ' ' LEU . 54.3 mtt180 -84.42 123.8 30.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -138.5 139.77 38.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -65.06 -179.15 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 32' ' ' ILE . 13.4 t -130.55 146.08 52.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' SER . 3.7 pt-20 -35.9 -32.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 30' ' ' SER . 49.9 mt -72.29 -58.31 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.517 HE22 HG22 ' A' ' 20' ' ' VAL . 84.8 mt-30 -52.97 -57.68 9.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' LEU . 5.6 mt -45.59 -68.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.7 t -38.31 -34.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -79.86 -43.61 21.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' LEU . 24.1 mt -53.67 -39.02 64.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -61.55 -31.66 71.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -47.72 82.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.814 HD11 HD23 ' A' ' 61' ' ' LEU . 71.8 mt -66.26 -28.5 68.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.04 18.75 8.54 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.45 HG23 ' OE2' ' A' ' 54' ' ' GLU . 60.1 mt -92.58 116.8 34.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.896 0.379 . . . . 0.0 111.127 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -98.74 46.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.409 ' H ' HG22 ' A' ' 42' ' ' ILE . 71.3 mttt -117.17 139.87 50.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.1 m -107.81 -37.37 6.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -84.96 141.37 37.76 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.577 0.703 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -21.29 33.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.378 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 84.7 p -77.85 -26.66 49.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.5 p -71.06 -36.23 72.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -45.63 151.65 0.39 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 52' ' ' GLU . 9.0 t -126.11 149.24 49.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' THR . 10.6 pt-20 -34.48 -43.3 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -55.88 -52.82 62.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.45 ' OE2' HG23 ' A' ' 42' ' ' ILE . 65.7 mt-10 -71.1 -48.04 54.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.655 HG13 ' CD1' ' A' ' 16' ' ' TYR . 96.9 t -43.44 -44.79 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.432 ' NH1' ' OD2' ' A' ' 12' ' ' ASP . 80.9 mtt-85 -60.45 -44.16 96.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -65.76 -55.19 18.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.541 ' CD2' HD13 ' A' ' 19' ' ' LEU . 29.3 t80 -38.69 -38.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -81.14 -49.65 10.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.066 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' ALA . 2.1 mmp_? -37.11 -62.14 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.814 HD23 HD11 ' A' ' 40' ' ' LEU . 3.1 pp -54.14 -39.07 66.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.524 ' N ' HD12 ' A' ' 61' ' ' LEU . 7.9 t-20 -78.04 101.31 6.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 78.4 mt -121.53 124.8 72.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -119.56 154.28 54.46 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.585 0.707 . . . . 0.0 110.876 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -39.73 6.21 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.708 2.272 . . . . 0.0 112.346 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -47.21 -55.49 8.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.3 p -50.35 -46.73 55.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.161 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.9 mm -43.78 134.47 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.9 m -127.87 85.21 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -60.39 -53.02 62.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.93 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -121.74 142.94 49.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 p -139.15 160.7 39.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -76.71 -65.58 1.96 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 4' ' ' GLY . 58.6 m -37.19 147.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.891 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 m -71.0 147.23 48.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.41 114.83 0.36 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.8 m -93.43 175.69 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.97 0.414 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.1 t -66.09 -39.13 89.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.104 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.536 ' HG3' ' HB2' ' A' ' 14' ' ' ALA . 6.9 tp60 -59.25 89.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.8 m -127.01 -51.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.35 -42.0 7.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -51.17 -41.22 60.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.536 ' HB2' ' HG3' ' A' ' 10' ' ' GLN . . . -64.52 -55.51 20.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.0 mt -46.84 -46.51 20.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -46.4 -49.72 17.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -48.48 -52.86 20.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.847 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -60.76 -50.55 73.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.5 mt -48.64 -44.07 37.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.5 t -111.9 80.84 3.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.699 0.761 . . . . 0.0 111.17 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 163.94 36.38 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.53 HD13 ' CG ' ' A' ' 27' ' ' ARG . 14.3 tp -122.09 94.44 4.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.457 HG23 ' N ' ' A' ' 24' ' ' ASN . 34.7 m -106.86 -42.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.758 ' O ' HG12 ' A' ' 26' ' ' VAL . 20.5 m120 -97.82 42.0 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 42.62 39.87 3.62 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.758 HG12 ' O ' ' A' ' 24' ' ' ASN . 7.6 p -166.78 123.74 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.53 ' CG ' HD13 ' A' ' 22' ' ' LEU . 99.7 mtt180 -80.97 118.55 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -152.49 153.59 33.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -83.8 178.59 7.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -127.62 163.64 23.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.542 ' HA ' HD12 ' A' ' 34' ' ' LEU . 7.3 pt-20 -46.44 -29.76 1.87 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.49 ' H ' HD12 ' A' ' 32' ' ' ILE . 5.3 mp -75.33 -61.66 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -48.44 -50.67 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' A' ' 31' ' ' GLU . 4.8 mt -53.2 -65.49 0.55 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 t -39.26 -36.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.483 ' HD3' HD12 ' A' ' 61' ' ' LEU . 18.0 mtt180 -78.74 -38.02 39.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 34' ' ' LEU . 13.9 mt -57.4 -44.72 84.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -60.99 -48.79 80.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -49.51 -50.11 43.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.923 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 mt -62.69 -30.94 71.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.95 21.99 5.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 37.7 mt -103.59 98.74 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 111.115 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -86.37 72.1 10.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.822 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -149.75 148.71 29.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.6 p -112.45 -44.31 3.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.35 135.68 96.36 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.71 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.66 -3.45 11.97 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.373 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.2 m -102.04 -40.26 6.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.7 p -48.81 -47.81 41.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.133 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 mp -49.17 123.58 7.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.0 p -94.23 174.83 6.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -41.25 -43.8 2.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -63.76 -50.49 68.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.1 -42.21 89.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.8 t -61.74 -62.37 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -43.73 -42.73 5.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -68.41 -39.0 81.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.521 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 36.5 t80 -85.53 21.52 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -116.05 -38.71 3.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.622 ' HA ' HD12 ' A' ' 63' ' ' ILE . 58.6 mtm180 -60.77 -57.94 10.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.521 HD23 ' H ' ' A' ' 62' ' ' ASN . 2.0 pt? -39.51 -35.21 0.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.521 ' H ' HD23 ' A' ' 61' ' ' LEU . 23.3 t30 -83.43 40.92 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 60' ' ' ARG . 78.4 mt -135.86 109.32 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -77.28 146.89 75.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.613 0.72 . . . . 0.0 110.832 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.771 ' HA ' HD13 ' A' ' 68' ' ' ILE . 53.7 Cg_endo -69.79 -19.57 35.82 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.718 2.279 . . . . 0.0 112.329 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.98 -48.02 72.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 54.1 p -44.85 -44.01 9.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.786 HD12 ' H ' ' A' ' 68' ' ' ILE . 4.9 mp -57.74 132.8 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.5 m -102.11 88.5 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.466 ' CE2' HG21 ' A' ' 68' ' ' ILE . 64.0 m95 -78.73 113.65 16.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 p -81.98 175.61 10.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.8 p -154.05 130.44 10.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.18 -127.46 1.2 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.464 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.3 m -72.61 159.5 33.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -129.46 153.76 47.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.04 -69.67 0.31 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.1 m -170.68 106.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.964 0.412 . . . . 0.0 110.871 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.504 HG23 ' N ' ' A' ' 10' ' ' GLN . 1.1 t -125.65 -174.82 3.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.182 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.517 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 32.9 mm-40 -47.56 116.35 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.925 ' O ' HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -80.0 -75.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.79 -53.65 7.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -54.58 -65.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 10' ' ' GLN . . . -57.46 -19.54 24.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.072 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.925 HD23 ' O ' ' A' ' 11' ' ' THR . 2.9 mm? -79.26 -36.53 39.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -71.9 -50.01 32.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -40.15 -45.15 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.7 mtp85 -75.22 -52.42 10.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.446 HD13 ' CD2' ' A' ' 58' ' ' PHE . 14.5 mt -40.51 -43.65 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.3 t -109.68 81.45 1.93 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -177.07 1.69 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.339 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.733 HD13 ' HG3' ' A' ' 27' ' ' ARG . 13.7 tp -137.29 117.46 13.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 24' ' ' ASN . 33.9 m -124.8 -45.94 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.565 ' O ' HG12 ' A' ' 26' ' ' VAL . 36.5 t-20 -95.04 41.89 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 47.07 25.34 2.5 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.567 ' N ' HD11 ' A' ' 22' ' ' LEU . 13.9 p -158.98 123.29 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.85 0.357 . . . . 0.0 111.096 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.733 ' HG3' HD13 ' A' ' 22' ' ' LEU . 52.5 mtt180 -74.44 130.42 39.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.38 163.13 40.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.487 ' CE2' HD13 ' A' ' 50' ' ' LEU . 34.8 m-85 -96.92 162.78 13.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.7 p -109.52 165.8 11.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.515 ' HA ' HD12 ' A' ' 34' ' ' LEU . 16.8 pt-20 -50.01 -30.88 11.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.504 ' H ' HD12 ' A' ' 32' ' ' ILE . 5.3 mp -71.77 -59.11 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -49.26 -50.4 39.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.583 HD22 HG22 ' A' ' 45' ' ' THR . 5.1 mt -56.35 -66.09 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -39.14 -26.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 34' ' ' LEU . 76.4 mtt180 -87.57 -39.75 14.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.575 HD22 HD12 ' A' ' 42' ' ' ILE . 82.8 mt -62.59 -32.22 73.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -65.13 -41.65 94.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -53.79 -50.31 66.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.47 HD11 HD11 ' A' ' 61' ' ' LEU . 15.8 mt -62.03 -32.06 72.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.79 25.63 7.96 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.575 HD12 HD22 ' A' ' 37' ' ' LEU . 47.0 mt -77.9 -46.51 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 62.53 38.72 12.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.443 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 43.2 mttm -117.76 131.48 56.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.583 HG22 HD22 ' A' ' 34' ' ' LEU . 73.4 p -119.98 36.1 4.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -148.65 139.78 13.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -4.54 14.2 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.732 2.288 . . . . 0.0 112.372 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.1 t -99.7 -42.08 7.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.3 p -57.71 -41.55 81.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.139 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.487 HD13 ' CE2' ' A' ' 29' ' ' PHE . 3.9 mp -60.76 118.24 6.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 52' ' ' GLU . 43.2 p -96.92 162.61 13.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 51' ' ' THR . 44.2 mt-10 -34.4 -45.58 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.63 -53.22 60.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.75 -37.44 81.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.0 t -65.16 -61.41 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 5.9 ptp180 -45.84 -37.07 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 4.9 mtmp? -73.33 -36.73 66.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.446 ' CD2' HD13 ' A' ' 19' ' ' LEU . 42.8 t80 -65.18 -51.57 60.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -57.5 -45.76 84.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 59' ' ' ALA . 11.2 mmm180 -36.34 -48.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.47 HD11 HD11 ' A' ' 40' ' ' LEU . 4.1 mp -38.26 -50.87 1.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -116.96 107.34 14.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.0 mt -101.41 94.41 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -55.33 145.48 46.99 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.615 0.722 . . . . 0.0 110.846 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.07 20.12 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.6 -15.39 61.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.0 p -96.0 9.72 39.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 28.7 mm -101.92 90.33 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.8 t -125.74 22.41 7.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.169 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.585 ' O ' ' CE3' ' A' ' 70' ' ' TRP . 51.6 p-90 -105.57 87.33 2.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.969 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.5 p -136.22 176.65 8.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.931 0.396 . . . . 0.0 110.835 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 m -139.94 143.15 36.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.819 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.46 177.5 48.45 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -167.2 152.19 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 7' ' ' GLY . 60.6 m -159.9 147.33 16.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.89 71.25 0.15 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.527 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.7 p -104.69 130.23 52.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.845 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.3 t -120.05 -37.71 3.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -70.76 75.77 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.5 m -65.08 -61.83 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -85.52 -40.48 16.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -47.43 -50.4 22.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.29 -65.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.41 HD22 ' OD1' ' A' ' 64' ' ' ASP . 40.1 mt -39.32 -42.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -45.48 -60.12 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -51.02 -41.78 60.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -63.97 -42.36 97.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.3 mt -62.56 -49.72 74.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.542 HG11 ' O ' ' A' ' 27' ' ' ARG . 90.6 t -107.58 78.41 0.69 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.636 0.731 . . . . 0.0 111.13 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 172.63 12.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.723 2.282 . . . . 0.0 112.306 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.604 HD13 ' HG3' ' A' ' 27' ' ' ARG . 12.6 tp -130.95 94.03 3.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.522 HG23 ' N ' ' A' ' 24' ' ' ASN . 35.1 m -109.57 -46.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.143 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.522 ' N ' HG23 ' A' ' 23' ' ' VAL . 51.4 m-20 -79.57 -32.35 42.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.53 20.16 1.98 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.465 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.45 ' CG1' ' HG3' ' A' ' 28' ' ' GLU . 42.4 t -147.03 124.46 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 111.115 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.604 ' HG3' HD13 ' A' ' 22' ' ' LEU . 45.3 mtt180 -83.05 37.53 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.45 ' HG3' ' CG1' ' A' ' 26' ' ' VAL . 12.0 mt-10 -86.03 129.53 34.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -49.72 176.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 t -117.12 157.42 25.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.723 ' HA ' HD12 ' A' ' 34' ' ' LEU . 7.6 pt-20 -43.42 -36.0 1.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.499 ' H ' HD12 ' A' ' 32' ' ' ILE . 5.2 mp -69.58 -48.78 63.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -61.11 -40.77 95.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 31' ' ' GLU . 3.8 mt -66.13 -60.8 2.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -43.51 -39.78 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -79.68 -24.68 41.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.492 HD23 HD12 ' A' ' 42' ' ' ILE . 3.6 mt -72.01 -42.22 66.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -43.92 -50.15 8.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -43.71 -51.61 7.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.599 HD11 HD21 ' A' ' 61' ' ' LEU . 19.3 mt -61.8 -32.07 72.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.29 22.07 8.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.492 HD12 HD23 ' A' ' 37' ' ' LEU . 80.6 mt -92.26 89.94 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.883 0.373 . . . . 0.0 111.08 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -79.54 45.86 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -115.25 155.41 27.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.6 p -124.16 -34.58 2.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -83.09 137.39 43.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.713 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 1.97 3.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.7 m -98.27 -44.25 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.1 p -53.8 -38.69 64.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mp -58.72 129.75 43.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 52' ' ' GLU . 15.1 t -100.3 162.92 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' THR . 12.9 pt-20 -36.04 -45.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -56.44 -63.05 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -38.45 69.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.68 -59.7 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 11.2 ptp180 -55.34 -37.55 67.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 22.9 mtpp -67.21 -51.67 50.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -52.13 -38.38 57.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.75 96.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 61' ' ' LEU . 31.3 mtp180 -43.75 -48.16 8.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.599 HD21 HD11 ' A' ' 40' ' ' LEU . 4.3 mm? -36.48 -61.91 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -108.56 114.46 28.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.1 mt -107.47 120.42 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.54 ' O ' HG22 ' A' ' 67' ' ' THR . 4.6 m-20 -81.11 147.61 61.63 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.63 0.729 . . . . 0.0 110.87 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -29.86 23.48 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.265 . . . . 0.0 112.328 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -47.56 -56.79 6.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.089 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 64' ' ' ASP . 14.5 t -58.73 -16.53 17.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.1 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 68' ' ' ILE . 4.7 mm -86.71 1.52 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 69' ' ' THR . 4.7 m 74.47 24.96 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.1 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.44 ' CD1' ' HB ' ' A' ' 68' ' ' ILE . 11.0 m0 -84.12 99.06 10.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 m -159.23 166.6 31.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.874 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -114.99 123.28 48.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.22 -81.08 0.28 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m 37.44 47.4 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.868 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.9 m -117.48 -51.35 2.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.29 44.66 1.19 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.518 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.9 p -99.46 179.71 4.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.0 0.429 . . . . 0.0 110.837 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 t -125.34 -23.73 4.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -46.45 -30.78 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 p -66.05 -73.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.739 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -52.28 -34.09 44.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.469 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 22.4 tttp -65.19 -58.39 6.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.04 -35.27 33.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.739 HD12 ' HA ' ' A' ' 12' ' ' ASP . 5.3 mt -73.98 -27.23 60.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.468 ' CD1' HG13 ' A' ' 55' ' ' VAL . 2.7 t80 -75.31 -36.74 61.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 13' ' ' LYS . 41.9 m-80 -67.15 -51.72 50.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.472 ' CG ' ' N ' ' A' ' 19' ' ' LEU . 21.6 ptt85 -59.75 -46.4 89.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.595 HD12 ' O ' ' A' ' 15' ' ' LEU . 25.0 mt -58.61 -40.84 84.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.2 t -117.16 81.23 12.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.642 0.734 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 178.15 4.86 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.714 2.276 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.46 HD11 ' N ' ' A' ' 26' ' ' VAL . 8.8 tp -127.35 111.4 13.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.4 m -127.76 -43.4 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -83.44 6.79 18.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.64 0.88 90.38 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.512 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.46 ' N ' HD11 ' A' ' 22' ' ' LEU . 4.9 p -148.09 117.09 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -57.33 127.25 31.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -151.11 133.89 15.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -67.01 172.97 3.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.0 t -127.19 166.86 16.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -48.1 -26.31 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.509 ' H ' HD12 ' A' ' 32' ' ' ILE . 5.4 mp -75.25 -61.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -51.66 -51.68 53.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' LEU . 4.8 mt -54.18 -67.13 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' LEU . 4.1 t -37.35 -32.37 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 34' ' ' LEU . 30.8 mtt-85 -80.87 -45.12 17.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 34' ' ' LEU . 18.6 mt -59.71 -38.33 81.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -47.26 -46.42 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.929 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.94 -50.82 63.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.92 -29.01 68.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.929 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.89 22.87 14.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.484 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.454 HG23 ' HD2' ' A' ' 44' ' ' LYS . 33.7 mt -96.07 102.16 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 0.0 111.138 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -86.62 51.01 2.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.454 ' HD2' HG23 ' A' ' 42' ' ' ILE . 29.9 mttm -115.68 107.18 14.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.632 ' O ' HG22 ' A' ' 45' ' ' THR . 24.8 m -89.68 35.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.416 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 1.7 t70 -154.82 141.04 12.96 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.621 0.724 . . . . 0.0 110.872 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 46' ' ' ASP . 53.6 Cg_endo -69.8 -27.13 26.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.619 2.213 . . . . 0.0 112.338 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.1 m -68.18 -49.8 58.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.4 p -54.26 -53.41 54.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.096 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 mp -43.45 125.67 4.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 52' ' ' GLU . 25.9 p -99.08 162.53 13.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 51' ' ' THR . 12.3 mt-10 -34.49 -46.17 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -57.73 -52.41 65.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.43 -36.3 83.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.468 HG13 ' CD1' ' A' ' 16' ' ' TYR . 84.3 t -64.12 -58.07 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.1 ptm85 -58.85 -42.36 89.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -58.87 -38.47 78.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.44 ' CE2' HD13 ' A' ' 19' ' ' LEU . 50.3 t80 -71.88 -47.37 53.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.52 -34.53 36.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.8 mtp85 -59.24 -43.06 92.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.2 mt -54.65 -16.18 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -92.82 40.41 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.3 mt -129.2 88.66 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -41.63 144.96 0.71 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.616 0.722 . . . . 0.0 110.846 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -21.03 34.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.79 -53.59 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 61.5 p -50.42 -51.23 48.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.4 mm -38.3 119.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 t -140.99 121.25 13.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' GLN . 35.9 m95 -103.52 106.57 17.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' TRP . 5.1 pp0? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 p -131.93 146.94 52.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.865 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -60.04 125.89 25.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.02 -43.04 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.428 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -42.63 -57.13 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -162.48 174.16 13.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.99 49.27 63.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.4 t -117.18 102.04 8.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.937 0.399 . . . . 0.0 110.82 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 9' ' ' THR . 13.9 t -87.92 36.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -103.45 43.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 p -82.24 -64.97 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.083 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -91.81 -35.54 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -57.57 -38.69 75.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.57 -56.54 20.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' TYR . 7.2 mp -59.47 -53.64 55.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.756 ' CD1' HG13 ' A' ' 55' ' ' VAL . 3.8 t80 -35.15 -48.44 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -52.4 -56.4 15.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -54.77 -49.86 69.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.27 -46.45 72.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 63.8 t -110.36 79.64 1.72 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.738 . . . . 0.0 111.171 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 158.59 56.41 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.306 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.41 ' HG ' ' CG ' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -118.56 106.97 13.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 m -129.8 -39.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -85.73 24.06 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.69 13.63 46.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.458 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.2 p -152.78 128.76 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.179 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.41 ' CG ' ' HG ' ' A' ' 22' ' ' LEU . 86.2 mtt180 -92.09 99.66 12.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -133.3 133.97 43.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -52.33 -179.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.4 t -132.35 158.57 41.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.559 ' HA ' HD12 ' A' ' 34' ' ' LEU . 7.9 pt-20 -45.46 -34.73 3.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.9 mm -70.35 -59.32 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.121 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -50.3 -59.57 3.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.705 ' CD2' HG22 ' A' ' 45' ' ' THR . 5.4 mt -40.85 -67.12 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 t -38.6 -35.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.4 mtm180 -79.32 -41.04 28.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 34' ' ' LEU . 22.7 mt -57.73 -46.78 83.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.02 -54.93 9.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -43.68 -50.1 7.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.6 mt -57.93 -31.12 66.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.6 23.68 11.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.658 HG22 ' HB2' ' A' ' 44' ' ' LYS . 43.5 mt -77.17 -53.61 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 0.0 111.137 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 62.46 43.08 8.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.658 ' HB2' HG22 ' A' ' 42' ' ' ILE . 33.9 mtmt -135.31 132.08 37.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.705 HG22 ' CD2' ' A' ' 34' ' ' LEU . 77.6 p -115.22 49.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -155.43 130.21 5.04 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 0.85 5.05 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.356 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -103.83 -39.36 6.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.1 p -67.5 -45.32 76.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -51.47 123.18 9.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.9 p -90.66 166.58 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -40.73 -50.57 3.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -53.85 -45.6 70.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.448 ' OE2' HG23 ' A' ' 42' ' ' ILE . 4.8 mm-40 -63.5 -50.61 68.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.756 HG13 ' CD1' ' A' ' 16' ' ' TYR . 86.8 t -54.14 -58.28 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 11.5 ptm180 -49.49 -36.37 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 18.5 mtpp -71.77 -40.34 69.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.49 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 79.0 t80 -83.53 20.53 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.58 -31.12 5.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -91.82 -37.59 12.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.823 HD22 ' C ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -50.0 -18.04 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.766 ' N ' HD13 ' A' ' 61' ' ' LEU . 64.1 t30 -107.71 105.94 16.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.9 mt -127.03 139.13 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.64 159.97 35.38 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.555 0.693 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -24.11 30.25 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.376 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -46.47 -43.84 16.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.6 p -52.07 -44.07 64.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.9 mm -45.65 135.31 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.0 t -152.1 137.78 17.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -132.95 109.53 9.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.968 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 1' ' ' GLY . 37.4 p 34.37 43.19 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.9 0.381 . . . . 0.0 110.846 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.1 p -82.51 -45.04 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.29 160.57 10.19 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -152.27 152.08 31.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.905 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -67.83 93.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.36 105.96 0.68 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 m -83.49 165.07 19.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.5 t -118.12 -36.53 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -85.46 47.98 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.0 p -56.31 -66.8 0.37 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -85.63 -33.36 21.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -53.58 -39.63 64.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.87 -44.07 81.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 16' ' ' TYR . 14.3 mt -71.34 -60.76 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.597 ' CD1' HG13 ' A' ' 55' ' ' VAL . 9.2 t80 -36.95 -48.82 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -47.48 -50.71 22.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 19' ' ' LEU . 23.3 ttt85 -62.65 -70.35 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.683 ' H ' HD12 ' A' ' 19' ' ' LEU . 6.8 mp -33.99 -45.07 0.19 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.4 t -107.33 81.34 1.02 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.672 0.748 . . . . 0.0 111.142 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 19' ' ' LEU . 54.2 Cg_endo -69.72 161.74 44.75 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.662 2.242 . . . . 0.0 112.38 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.494 HD11 ' N ' ' A' ' 26' ' ' VAL . 6.7 tp -124.52 99.11 6.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.3 m -117.16 -33.15 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -99.88 33.91 2.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 50.54 25.33 8.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.496 HG12 ' HG3' ' A' ' 28' ' ' GLU . 67.8 t -155.09 120.06 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 111.122 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.417 ' CG ' HD13 ' A' ' 22' ' ' LEU . 27.7 mtt180 -77.34 119.29 20.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.496 ' HG3' HG12 ' A' ' 26' ' ' VAL . 49.9 mt-10 -152.69 144.51 23.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -69.54 151.03 46.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 32' ' ' ILE . 31.3 t -97.32 153.06 18.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.758 ' HA ' HD12 ' A' ' 34' ' ' LEU . 10.7 pt-20 -35.61 -31.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 30' ' ' SER . 22.9 mt -71.95 -65.94 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -42.26 -48.54 4.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' A' ' 31' ' ' GLU . 4.0 mt -54.57 -63.74 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 t -38.73 -41.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.435 ' CD ' ' O ' ' A' ' 32' ' ' ILE . 2.3 mpt_? -71.95 -65.54 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.1 mt -40.93 -35.67 0.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -52.12 -44.42 64.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -53.04 -40.79 64.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.6 mt -72.05 -21.38 61.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.65 18.41 35.34 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 57.6 mt -89.27 92.53 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 111.162 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -83.15 47.93 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -117.66 108.28 15.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.8 m -74.18 -46.73 40.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -71.76 137.97 82.84 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.594 0.711 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -12.68 33.44 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.671 2.247 . . . . 0.0 112.391 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.6 -48.07 12.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.8 p -50.19 -38.48 40.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.8 mp -53.61 141.22 26.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 52' ' ' GLU . 12.3 t -101.28 147.42 26.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' THR . 11.9 pt-20 -35.4 -36.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 51' ' ' THR . 24.3 tt0 -60.71 -60.19 4.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.48 ' N ' ' OE1' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -58.03 -41.79 83.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.597 HG13 ' CD1' ' A' ' 16' ' ' TYR . 85.2 t -52.71 -56.33 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -54.63 -42.43 71.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -61.6 -55.19 33.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.482 ' CE2' HD23 ' A' ' 19' ' ' LEU . 52.9 t80 -56.17 -16.01 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.3 16.31 18.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -102.99 -60.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 62' ' ' ASN . 1.4 pt? -55.39 -32.22 62.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.407 ' N ' ' HG ' ' A' ' 61' ' ' LEU . 23.6 t-20 -97.68 101.24 12.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.2 mm -117.24 115.54 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -94.41 144.39 27.89 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 110.863 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 66' ' ' ALA . 54.1 Cg_endo -69.75 -32.67 18.14 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.642 2.228 . . . . 0.0 112.371 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' PRO . . . -37.31 -58.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 81.8 p -59.27 -45.84 90.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.1 mm -48.43 95.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -120.67 10.39 11.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 75.4 m95 39.71 44.01 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -150.53 162.12 41.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.91 0.386 . . . . 0.0 110.836 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.2 p -159.6 171.34 19.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.25 58.06 0.41 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -160.16 106.14 1.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -80.19 102.18 9.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.96 101.99 0.33 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.466 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.1 p -174.27 122.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 0.0 110.833 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 9' ' ' THR . 14.7 t 39.18 36.14 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.17 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.441 ' H ' ' NE2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -86.36 24.91 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.1 m -93.9 -57.84 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 13' ' ' LYS . 20.2 p-10 -82.13 -50.14 9.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' ASP . 16.3 mtpp -37.01 -55.26 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.24 -57.43 8.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' TYR . 45.4 mt -50.73 -58.42 5.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' LEU . 9.0 t80 -35.14 -60.48 0.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -42.34 -53.76 4.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -57.76 -45.59 85.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.914 HD13 ' CE2' ' A' ' 58' ' ' PHE . 22.5 mt -57.59 -46.58 83.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 27' ' ' ARG . 94.3 t -108.76 81.18 1.4 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.696 0.76 . . . . 0.0 111.134 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 156.62 62.9 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.654 2.236 . . . . 0.0 112.34 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.732 HD12 ' HE ' ' A' ' 27' ' ' ARG . 1.1 tt -127.2 101.37 6.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.3 m -126.52 -27.34 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -98.89 28.96 4.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.4 11.42 9.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.2 t -151.14 124.31 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.793 0.33 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.732 ' HE ' HD12 ' A' ' 22' ' ' LEU . 97.8 mtt180 -88.3 127.38 35.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -155.53 137.65 14.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -63.35 173.41 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -122.98 163.67 19.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.576 ' HA ' HD12 ' A' ' 34' ' ' LEU . 5.1 pt-20 -43.78 -30.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.8 mt -74.4 -62.05 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -47.83 -53.64 14.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 31' ' ' GLU . 5.8 mt -48.02 -65.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 t -43.11 -35.3 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -75.55 -32.0 60.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 34' ' ' LEU . 10.5 mt -82.11 -24.65 35.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -64.73 -56.24 14.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -45.25 -49.7 12.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.2 mt -58.37 -33.58 69.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.14 19.04 9.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.4 mt -105.16 98.3 6.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.845 0.355 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -89.93 46.04 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -102.81 89.17 3.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.0 m -58.93 -49.33 78.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -68.62 135.66 90.46 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.589 0.709 . . . . 0.0 110.845 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -13.78 34.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.658 2.238 . . . . 0.0 112.315 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.2 m -81.01 -47.96 12.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.5 p -47.86 -49.12 30.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.2 mp -38.91 140.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 52' ' ' GLU . 61.3 p -114.76 157.86 22.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 51' ' ' THR . 11.1 mt-10 -34.37 -50.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -54.68 -56.12 22.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.29 -47.35 83.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.5 t -54.81 -57.81 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -46.4 -47.25 18.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -62.92 -49.18 75.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.914 ' CE2' HD13 ' A' ' 19' ' ' LEU . 39.9 t80 -56.05 -48.35 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -54.57 -52.94 60.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 59' ' ' ALA . 61.5 mtt180 -35.47 -52.04 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 60' ' ' ARG . 56.7 mt -36.27 -48.33 0.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -82.16 104.78 12.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.3 mt -111.55 109.96 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -91.63 150.66 41.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.675 0.75 . . . . 0.0 110.844 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 2.85 3.17 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.31 -27.26 7.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 68' ' ' ILE . 1.9 t -98.4 4.92 48.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.432 ' C ' ' O ' ' A' ' 67' ' ' THR . 18.6 mt -34.15 129.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.9 t -115.09 126.02 54.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.164 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 28.5 m95 -100.97 42.28 1.13 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -72.29 -46.63 54.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.855 0.36 . . . . 0.0 110.882 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -103.34 174.06 6.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.62 -44.95 3.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m 51.69 41.78 29.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.827 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 m -100.13 87.88 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.83 58.54 2.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 9' ' ' THR . 14.1 m -112.79 85.1 2.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.931 0.396 . . . . 0.0 110.865 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 9' ' ' THR . 14.5 t 36.25 38.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.089 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.586 ' HG2' ' HB2' ' A' ' 14' ' ' ALA . 21.2 tt0 -97.51 41.85 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.0 m -88.5 -50.44 6.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -91.76 -48.22 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -43.71 -51.29 7.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.586 ' HB2' ' HG2' ' A' ' 10' ' ' GLN . . . -54.57 -51.13 66.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.5 mt -57.46 -48.11 80.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -45.64 -58.02 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -40.19 -53.87 2.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -61.22 -47.65 85.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.508 HD13 ' CD2' ' A' ' 58' ' ' PHE . 11.6 mt -52.0 -48.45 64.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.1 t -109.72 80.41 1.64 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.597 0.713 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 168.01 22.77 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.635 2.223 . . . . 0.0 112.336 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.667 HD11 ' N ' ' A' ' 26' ' ' VAL . 13.5 tp -128.17 99.12 5.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.5 m -107.89 -34.21 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -105.58 36.45 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 50.96 21.75 5.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.529 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.667 ' N ' HD11 ' A' ' 22' ' ' LEU . 92.0 t -147.44 119.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 111.139 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.5 ' HG3' HD13 ' A' ' 22' ' ' LEU . 62.7 mtt-85 -76.06 134.32 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -156.03 163.7 39.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -92.05 170.39 9.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 31' ' ' GLU . 13.7 t -122.12 152.04 40.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.494 ' HA ' HD12 ' A' ' 34' ' ' LEU . 8.7 pt-20 -36.0 -40.32 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.407 HG22 ' NE ' ' A' ' 36' ' ' ARG . 49.8 mt -64.81 -62.92 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -46.05 -56.7 5.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 31' ' ' GLU . 5.3 mt -48.68 -65.74 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 t -41.77 -35.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.407 ' NE ' HG22 ' A' ' 32' ' ' ILE . 49.1 mtm180 -76.82 -43.49 36.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.408 HD21 ' CD1' ' A' ' 58' ' ' PHE . 41.3 mt -61.56 -43.63 98.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -45.06 -52.18 9.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -48.17 -47.72 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.0 -31.67 73.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.3 22.33 8.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.586 HG23 ' HD2' ' A' ' 44' ' ' LYS . 39.9 mt -98.07 97.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 111.118 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -88.2 45.45 1.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.586 ' HD2' HG23 ' A' ' 42' ' ' ILE . 27.4 mttp -110.74 112.95 25.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 43.5 p -81.36 -33.92 32.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.424 ' CG ' ' H ' ' A' ' 48' ' ' SER . 5.8 t0 -77.17 125.48 86.55 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.566 0.698 . . . . 0.0 110.891 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 2.9 3.14 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.308 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.424 ' H ' ' CG ' ' A' ' 46' ' ' ASP . 2.9 t -102.94 -38.17 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.885 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.406 HG23 ' OD2' ' A' ' 46' ' ' ASP . 22.7 p -55.92 -53.56 55.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mp -39.53 140.98 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.48 HG22 ' HG2' ' A' ' 54' ' ' GLU . 8.0 t -102.47 160.82 14.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -39.46 -43.25 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.43 -41.78 85.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.48 ' HG2' HG22 ' A' ' 51' ' ' THR . 42.8 mm-40 -77.25 -33.63 55.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.6 t -66.51 -51.56 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 11.9 ptm180 -55.91 -45.36 78.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 47.9 mtmt -61.67 -42.4 98.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.508 ' CD2' HD13 ' A' ' 19' ' ' LEU . 24.7 t80 -55.15 -39.75 69.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 62' ' ' ASN . . . -81.66 -38.39 25.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -40.46 -42.98 1.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.475 HD12 ' C ' ' A' ' 61' ' ' LEU . 2.3 pp -83.33 -28.19 29.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 59' ' ' ALA . 8.7 t30 -88.43 45.14 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.402 HG21 ' HZ3' ' A' ' 70' ' ' TRP . 23.2 mm -98.4 99.35 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -78.69 154.41 78.47 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.627 0.727 . . . . 0.0 110.851 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 2.45 3.51 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.83 -11.71 16.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 68' ' ' ILE . 1.9 t -111.97 4.86 18.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.774 HG23 ' CE2' ' A' ' 70' ' ' TRP . 18.6 mt -34.04 126.96 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 69' ' ' THR . 20.1 m -127.09 31.84 5.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.774 ' CE2' HG23 ' A' ' 68' ' ' ILE . 36.9 p90 -127.32 22.18 6.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 -179.944 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -116.38 81.55 1.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.7 p -132.94 151.75 52.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.09 162.54 7.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.3 p -82.96 91.69 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.809 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.8 p -113.34 -42.65 3.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.26 176.63 12.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t -109.96 166.29 11.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.96 0.41 . . . . 0.0 110.843 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 9' ' ' THR . 14.5 t -117.14 38.55 3.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.118 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.11 24.12 1.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.7 m -78.58 -52.3 8.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.185 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.59 -52.28 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -45.2 -46.54 12.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.75 -48.51 29.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.05 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.437 HD22 ' HB1' ' A' ' 59' ' ' ALA . 6.3 mp -70.7 -57.12 5.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.733 ' CD1' HG13 ' A' ' 55' ' ' VAL . 3.0 t80 -36.72 -41.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -65.94 -58.87 4.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -52.31 -47.39 65.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.789 HD13 ' CE2' ' A' ' 58' ' ' PHE . 49.7 mt -58.66 -50.29 74.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.6 t -116.16 81.17 10.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.578 0.704 . . . . 0.0 111.148 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 165.96 29.16 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.587 HD12 ' HE ' ' A' ' 27' ' ' ARG . 1.1 tt -129.19 103.32 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 24' ' ' ASN . 24.1 m -125.81 -41.23 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.409 ' N ' HG23 ' A' ' 23' ' ' VAL . 5.9 m-20 -81.62 15.58 2.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.434 ' C ' HD21 ' A' ' 22' ' ' LEU . . . 72.47 1.2 51.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.5 p -140.06 126.92 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.779 0.323 . . . . 0.0 111.153 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.587 ' HE ' HD12 ' A' ' 22' ' ' LEU . 95.5 mtt180 -89.09 119.63 29.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -138.14 137.99 38.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.437 ' HB2' HD21 ' A' ' 34' ' ' LEU . 85.4 m-85 -68.98 -177.75 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.2 m -135.21 157.01 48.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.5 ' HA ' HD12 ' A' ' 34' ' ' LEU . 11.1 pt-20 -41.15 -41.8 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.8 mm -64.14 -63.93 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -48.19 -49.02 34.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 31' ' ' GLU . 4.1 mt -58.68 -60.14 4.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 t -45.69 -21.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -95.48 -33.23 12.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.549 ' HA ' HD12 ' A' ' 40' ' ' LEU . 14.9 mt -70.74 -35.43 72.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -49.26 -53.96 19.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -45.81 -49.97 14.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 37' ' ' LEU . 12.2 mt -58.11 -27.09 63.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.22 22.34 30.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.647 HG22 ' HB2' ' A' ' 44' ' ' LYS . 89.4 mt -80.05 -44.81 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 111.099 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 39.77 53.36 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.647 ' HB2' HG22 ' A' ' 42' ' ' ILE . 19.4 mttm -124.67 105.29 9.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.9 p -82.71 44.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.417 ' OD2' HG23 ' A' ' 49' ' ' THR . 9.5 t0 -157.59 124.14 2.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.589 0.709 . . . . 0.0 110.854 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 1.73 4.15 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 0.0 112.362 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m -99.77 -37.04 9.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.417 HG23 ' OD2' ' A' ' 46' ' ' ASP . 43.4 p -65.34 -51.93 57.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mp -41.65 128.02 3.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.457 ' HG1' ' CD ' ' A' ' 54' ' ' GLU . 26.1 p -96.08 160.54 14.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 51' ' ' THR . 28.6 mt-10 -34.52 -50.8 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -55.03 -47.77 74.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.457 ' CD ' ' HG1' ' A' ' 51' ' ' THR . 2.4 mp0 -69.84 -28.89 66.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.733 HG13 ' CD1' ' A' ' 16' ' ' TYR . 89.4 t -70.86 -51.79 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -63.43 -40.22 96.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -63.14 -45.91 89.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.789 ' CE2' HD13 ' A' ' 19' ' ' LEU . 15.1 t80 -59.65 -33.31 71.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -70.46 -43.31 70.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 59' ' ' ALA . 16.5 mmt180 -35.6 -53.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.4 mt -41.9 -56.51 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -75.87 82.69 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.7 mt -78.8 87.05 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -72.51 150.22 91.32 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.643 0.735 . . . . 0.0 110.9 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 68' ' ' ILE . 53.3 Cg_endo -69.78 -36.28 11.05 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.71 2.274 . . . . 0.0 112.312 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -42.42 -36.1 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.05 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.6 p -71.38 -36.35 71.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.681 HG23 ' CD1' ' A' ' 70' ' ' TRP . 51.0 mm -56.6 97.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.1 44.1 2.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.681 ' CD1' HG23 ' A' ' 68' ' ' ILE . 51.2 p-90 -126.94 27.78 5.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.0 p -95.0 139.71 30.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.872 0.368 . . . . 0.0 110.826 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 t -71.88 -57.34 4.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.04 -140.38 6.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 m -129.65 164.08 24.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.878 0.371 . . . . 0.0 110.864 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -106.99 -56.16 2.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.98 117.94 0.51 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.2 t -140.88 162.3 35.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.938 0.399 . . . . 0.0 110.809 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.414 HG23 ' N ' ' A' ' 10' ' ' GLN . 12.3 t -56.07 -39.94 72.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.414 ' N ' HG23 ' A' ' 9' ' ' THR . 36.5 mt-30 -67.11 77.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.574 ' O ' HD13 ' A' ' 15' ' ' LEU . 92.2 m -81.94 -42.39 19.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -104.67 -42.03 5.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -53.22 -41.63 65.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.7 -62.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 11' ' ' THR . 9.6 mp -50.13 -46.8 54.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.612 ' CD1' HG13 ' A' ' 55' ' ' VAL . 4.9 t80 -39.58 -58.63 1.26 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -50.0 -44.34 51.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -62.63 -45.11 94.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.61 -44.85 92.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.8 t -111.7 80.88 3.06 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.71 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 152.24 69.28 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.664 2.243 . . . . 0.0 112.328 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.549 ' CD1' ' C ' ' A' ' 26' ' ' VAL . 12.3 tp -107.22 89.01 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.1 m -109.69 -30.53 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.497 ' O ' HG12 ' A' ' 26' ' ' VAL . 14.7 m-20 -104.98 37.86 2.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.94 34.32 22.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.549 ' C ' ' CD1' ' A' ' 22' ' ' LEU . 8.1 p -165.94 135.33 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 111.137 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.449 ' HG3' HD13 ' A' ' 22' ' ' LEU . 29.3 mtm180 -86.42 37.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -66.57 129.96 41.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -60.87 173.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -118.43 156.0 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.582 ' HA ' HD12 ' A' ' 34' ' ' LEU . 5.2 pt-20 -45.19 -36.68 3.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.7 mt -71.52 -51.8 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -56.26 -37.0 69.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.598 HD22 HG22 ' A' ' 45' ' ' THR . 4.0 mt -72.89 -60.73 2.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -44.31 -37.47 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.546 ' HD3' HD11 ' A' ' 61' ' ' LEU . 3.0 ptp180 -78.51 -29.9 46.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 34' ' ' LEU . 8.0 mt -66.81 -45.52 78.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -44.22 -52.85 7.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.471 ' N ' ' HE2' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -42.33 -50.68 5.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mt -63.6 -32.07 73.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.69 26.33 8.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.447 HG22 ' O ' ' A' ' 42' ' ' ILE . 39.0 mt -98.72 85.85 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 111.146 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -70.91 68.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.492 ' HB3' HD12 ' A' ' 50' ' ' LEU . 17.6 mttp -145.45 129.94 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.598 HG22 HD22 ' A' ' 34' ' ' LEU . 81.2 p -118.62 18.3 13.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.64 133.61 22.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 110.83 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -1.36 8.31 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.1 m -109.82 -37.53 5.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.1 p -59.28 -53.02 63.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.492 HD12 ' HB3' ' A' ' 44' ' ' LYS . 6.0 mp -44.43 136.29 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 54' ' ' GLU . 8.8 t -104.38 154.95 19.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 53' ' ' GLU . 15.3 pt-20 -36.37 -47.62 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.481 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 15.4 tt0 -53.7 -44.85 70.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 51' ' ' THR . 92.7 mt-10 -74.76 -37.8 62.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.612 HG13 ' CD1' ' A' ' 16' ' ' TYR . 92.5 t -58.61 -55.66 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 9.3 ptm180 -52.92 -46.37 68.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 26.6 mtmt -64.24 -45.8 86.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.28 -37.62 86.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.37 -39.45 59.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.3 mtt-85 -55.08 -62.58 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.546 HD11 ' HD3' ' A' ' 36' ' ' ARG . 1.1 pp -38.13 -39.44 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -100.61 102.45 13.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 61.7 mt -99.65 116.25 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -62.15 139.85 96.09 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.869 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.64 ' HA ' HD11 ' A' ' 68' ' ' ILE . 53.7 Cg_endo -69.75 3.05 2.99 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.729 2.286 . . . . 0.0 112.338 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -110.67 -10.75 14.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 68' ' ' ILE . 5.7 p -134.96 25.3 3.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.64 HD11 ' HA ' ' A' ' 65' ' ' PRO . 2.3 mp -32.22 135.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.1 p -123.27 86.7 2.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -55.43 -45.94 76.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -86.97 -44.09 11.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.859 0.361 . . . . 0.0 110.858 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 m -56.05 -51.02 69.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.75 171.51 37.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 t -163.21 170.63 17.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.893 0.378 . . . . 0.0 110.891 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -90.35 114.08 26.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.7 54.53 0.1 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 m -133.38 151.62 51.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.4 . . . . 0.0 110.89 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.4 t -115.27 28.77 8.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -99.03 44.65 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.4 m -94.6 -49.43 5.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -88.83 -43.35 11.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -50.25 -51.39 44.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.61 -48.61 66.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.31 -43.32 96.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -49.78 -59.2 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -43.38 -54.4 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -59.68 -52.13 66.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.8 mt -52.12 -38.98 59.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.5 t -114.92 80.78 6.95 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 0.0 111.114 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 168.03 22.83 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.677 2.251 . . . . 0.0 112.36 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.475 HD22 ' HG3' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -93.84 111.96 23.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.9 m -124.1 131.86 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 56.04 39.04 30.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.19 23.49 59.82 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.8 p -153.47 151.15 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.136 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.475 ' HG3' HD22 ' A' ' 22' ' ' LEU . 88.4 mtt180 -109.28 119.04 38.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -135.18 138.76 43.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -72.87 113.19 9.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -59.53 170.55 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.645 ' HA ' HD12 ' A' ' 34' ' ' LEU . 2.3 tp10 -56.64 -43.54 80.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.2 mm -63.39 -34.51 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.488 ' OE1' ' CZ ' ' A' ' 58' ' ' PHE . 5.9 mm100 -70.84 -49.28 47.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.825 HD22 HG22 ' A' ' 45' ' ' THR . 4.0 mt -57.54 -64.25 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 34' ' ' LEU . 3.2 t -37.24 -28.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 34' ' ' LEU . 34.6 mtp85 -85.19 -42.62 14.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.558 ' HG ' ' CE1' ' A' ' 58' ' ' PHE . 36.5 mt -61.22 -32.66 72.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 41' ' ' GLY . 21.7 mtmm -65.14 -49.73 68.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -44.09 -49.33 8.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.5 mt -63.82 -25.74 68.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 95.26 18.38 33.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.461 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.64 HG22 ' HB2' ' A' ' 44' ' ' LYS . 44.6 mt -69.51 -50.67 48.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 111.089 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 62.12 41.45 10.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.64 ' HB2' HG22 ' A' ' 42' ' ' ILE . 20.8 mtmm -127.76 109.05 11.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.825 HG22 HD22 ' A' ' 34' ' ' LEU . 79.4 p -94.55 29.5 2.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.405 ' HB3' HG23 ' A' ' 49' ' ' THR . 15.1 t70 -136.43 130.59 18.13 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.655 0.74 . . . . 0.0 110.854 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -2.65 10.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.331 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -104.85 -30.12 10.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.436 ' O ' ' CD ' ' A' ' 44' ' ' LYS . 70.7 p -75.03 -12.92 60.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -83.52 133.33 34.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 52' ' ' GLU . 14.6 t -102.01 160.52 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' THR . 37.2 mt-10 -37.87 -40.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -61.17 -50.33 73.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.45 ' HB3' HD13 ' A' ' 42' ' ' ILE . 6.1 mm-40 -71.32 -26.26 62.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.6 t -73.01 -51.33 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 24.0 ptt180 -59.52 -42.95 93.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.478 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 20.1 mtpp -65.01 -45.23 86.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.558 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 8.6 t80 -64.2 -42.68 96.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.84 -38.59 86.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -40.69 -49.58 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.1 mt -38.33 -46.07 1.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -90.45 106.76 18.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.5 mt -104.01 122.66 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.16 153.89 94.17 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.554 0.692 . . . . 0.0 110.859 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -6.5 18.73 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.668 2.246 . . . . 0.0 112.355 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -107.92 -13.79 14.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 68' ' ' ILE . 1.4 t -111.95 5.84 19.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.861 HG23 ' CD1' ' A' ' 70' ' ' TRP . 19.0 mt -34.08 101.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.6 t -108.56 28.37 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.861 ' CD1' HG23 ' A' ' 68' ' ' ILE . 36.0 p-90 -121.26 29.53 7.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.7 tm0? . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.892 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 p -115.71 118.11 32.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.877 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -101.66 42.22 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.51 102.55 0.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.9 p -120.63 167.88 11.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -141.66 150.27 41.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 122.05 -78.65 0.34 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.505 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 7' ' ' GLY . 42.4 m -34.95 131.21 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.895 0.379 . . . . 0.0 110.9 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.4 t -53.43 -19.36 3.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 41.17 45.38 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.0 m -124.27 -56.97 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.27 -44.06 11.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -64.04 -44.34 92.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.04 -57.86 5.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' TYR . 9.5 mp -63.72 -48.06 78.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.553 ' CD1' HG13 ' A' ' 55' ' ' VAL . 3.7 t80 -35.98 -42.87 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -63.42 -54.11 41.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.1 mtp85 -56.28 -37.71 70.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.538 HD11 ' HA ' ' A' ' 59' ' ' ALA . 8.5 mt -66.64 -52.18 47.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.3 t -109.8 74.86 0.78 Allowed Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.582 0.706 . . . . 0.0 111.1 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 161.35 46.27 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.616 HD11 ' C ' ' A' ' 25' ' ' GLY . 6.4 tp -102.86 98.06 8.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.622 HG23 ' N ' ' A' ' 24' ' ' ASN . 29.4 m -104.45 -52.39 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.622 ' N ' HG23 ' A' ' 23' ' ' VAL . 26.3 m120 -99.64 40.65 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.616 ' C ' HD11 ' A' ' 22' ' ' LEU . . . 56.83 15.29 12.28 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.568 ' N ' HD11 ' A' ' 22' ' ' LEU . 51.8 t -133.69 135.18 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.532 ' HG2' HD13 ' A' ' 22' ' ' LEU . 14.5 mmt180 -91.97 33.6 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.5 ' H ' HG12 ' A' ' 26' ' ' VAL . 11.0 pt-20 -78.03 127.8 32.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -50.64 171.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 t -106.43 164.34 12.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.751 ' HA ' HD12 ' A' ' 34' ' ' LEU . 8.7 pt-20 -49.6 -34.39 17.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.4 mt -71.77 -52.59 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 19' ' ' LEU . 92.9 mt-30 -54.25 -52.68 60.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 31' ' ' GLU . 5.2 mt -47.94 -67.46 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' LEU . 2.3 t -38.17 -35.06 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -77.84 -49.84 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.7 mt -51.51 -35.94 42.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -64.7 -28.02 69.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.83 -48.81 67.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.64 -32.95 74.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.62 23.29 6.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 65.0 mt -93.6 88.47 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.348 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -72.83 67.69 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.0 mttt -135.81 167.94 20.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.8 p -132.15 -39.41 1.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.413 ' O ' HD23 ' A' ' 50' ' ' LEU . 2.9 m-20 -89.7 142.71 29.47 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.542 0.687 . . . . 0.0 110.943 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -21.2 33.74 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 95.2 p -70.57 -37.35 73.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.3 p -67.23 -30.1 69.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.435 ' CD1' ' HB3' ' A' ' 54' ' ' GLU . 3.5 mm? -54.5 145.06 19.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.672 ' O ' HG23 ' A' ' 55' ' ' VAL . 30.1 p -109.32 168.97 9.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -52.09 -40.53 61.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.422 ' HG2' ' NZ ' ' A' ' 57' ' ' LYS . 7.5 tt0 -62.93 -50.12 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.493 ' N ' ' CD ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -64.69 -37.35 87.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 51' ' ' THR . 85.0 t -65.13 -59.01 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -54.39 -24.68 20.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.422 ' NZ ' ' HG2' ' A' ' 53' ' ' GLU . 19.7 mtmm -83.63 -49.14 9.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.401 ' HA ' HD23 ' A' ' 61' ' ' LEU . 48.0 t80 -64.21 -23.67 67.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.538 ' HA ' HD11 ' A' ' 19' ' ' LEU . . . -75.72 -9.01 58.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.479 ' HG2' ' N ' ' A' ' 61' ' ' LEU . 2.4 ptm180 -89.99 -35.5 15.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.479 ' N ' ' HG2' ' A' ' 60' ' ' ARG . 4.2 mm? -38.22 -39.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -103.97 83.38 2.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 19.2 mt -69.1 102.11 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.49 ' O ' ' CG2' ' A' ' 67' ' ' THR . 3.0 m-20 -98.95 150.98 37.19 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.627 0.727 . . . . 0.0 110.858 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 68' ' ' ILE . 53.3 Cg_endo -69.76 -49.43 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 65' ' ' PRO . . . -35.96 -57.11 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.061 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 64' ' ' ASP . 1.8 t -55.01 -39.89 69.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.479 HG23 ' CD1' ' A' ' 70' ' ' TRP . 40.3 mm -52.86 98.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.564 HG22 ' O ' ' A' ' 69' ' ' THR . 20.8 m -132.07 41.12 3.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.533 ' CE3' ' N ' ' A' ' 71' ' ' GLN . 52.2 p-90 -96.52 -39.71 9.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.533 ' N ' ' CE3' ' A' ' 70' ' ' TRP . 21.5 pt20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -89.6 141.76 28.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.365 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -174.16 128.37 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.75 142.7 3.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.1 p -87.41 102.14 14.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.83 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -68.66 165.71 18.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.68 -117.89 0.67 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.522 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.9 m -100.22 79.06 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.967 0.413 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.675 ' OG1' ' HB2' ' A' ' 14' ' ' ALA . 1.3 t -80.23 153.98 28.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.447 ' HB2' ' CB ' ' A' ' 13' ' ' LYS . 7.4 mt-30 -88.64 146.04 25.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.743 ' O ' HD23 ' A' ' 15' ' ' LEU . 34.5 m -50.7 -49.87 56.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -81.48 -57.93 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' CB ' ' HB2' ' A' ' 10' ' ' GLN . 24.8 ttpt -42.16 -52.88 4.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.675 ' HB2' ' OG1' ' A' ' 9' ' ' THR . . . -60.88 -40.37 92.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 11' ' ' THR . 0.6 OUTLIER -60.19 -51.05 71.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.412 ' HA ' HD12 ' A' ' 19' ' ' LEU . 12.1 t80 -61.98 -52.29 64.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -49.07 -40.46 31.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -76.73 -46.08 26.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 16' ' ' TYR . 6.1 mt -46.24 -50.1 16.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -108.39 82.08 1.52 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.647 0.736 . . . . 0.0 111.107 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 149.74 67.2 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.685 2.256 . . . . 0.0 112.369 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.517 HD21 ' N ' ' A' ' 26' ' ' VAL . 1.3 tm? -124.85 102.62 7.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.1 m -130.59 -31.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -82.7 -9.05 59.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.7 12.82 52.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.517 ' N ' HD21 ' A' ' 22' ' ' LEU . 11.3 t -147.12 107.42 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.133 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.506 ' CA ' HD23 ' A' ' 22' ' ' LEU . 73.6 mtt180 -75.93 115.02 15.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -147.73 143.74 27.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -67.39 171.14 6.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 t -103.75 166.32 10.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.467 ' HA ' HD12 ' A' ' 34' ' ' LEU . 3.5 tt0 -49.59 -52.77 27.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 mm -60.78 -44.76 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.165 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.701 ' O ' HD12 ' A' ' 37' ' ' LEU . 67.0 mt-30 -58.43 -34.59 70.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' LEU . 6.3 mt -77.24 -66.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t -44.43 -31.26 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -82.7 -29.27 29.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.701 HD12 ' O ' ' A' ' 33' ' ' GLN . 5.6 mt -73.81 -38.34 64.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -45.19 -51.71 10.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.12 -53.25 6.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.658 HD11 HD11 ' A' ' 61' ' ' LEU . 11.4 mt -59.56 -30.3 68.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.95 23.78 11.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.476 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.481 HG22 ' O ' ' A' ' 42' ' ' ILE . 90.6 mt -94.11 86.07 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 111.162 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -79.95 44.99 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -119.04 103.67 9.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 57.6 m -77.06 -46.76 22.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -57.4 126.45 74.77 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.595 0.712 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -3.27 11.69 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.6 m -96.1 -44.35 7.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 34.3 p -53.38 -46.02 69.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.117 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.9 mp -48.55 134.33 15.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.499 ' O ' HG23 ' A' ' 55' ' ' VAL . 67.3 p -100.07 179.44 4.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -50.46 -45.24 55.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -60.42 -56.39 22.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -53.75 -43.12 68.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 51' ' ' THR . 96.2 t -64.11 -59.63 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.089 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -45.06 -44.5 10.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -63.8 -65.73 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -40.0 -49.3 2.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -49.53 -51.49 36.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' LEU . 65.7 mtp180 -34.71 -65.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.658 HD11 HD11 ' A' ' 40' ' ' LEU . 7.7 mt -34.39 -51.8 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -82.71 105.43 13.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.2 mt -111.79 106.33 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -80.73 149.93 68.57 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -44.22 2.21 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.12 -54.0 50.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.5 HG21 HD21 ' A' ' 15' ' ' LEU . 29.0 p -42.42 -42.3 3.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 30.4 mm -41.75 114.76 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.2 p -149.47 112.96 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.14 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -87.28 -43.59 12.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.809 0.338 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.69 -47.49 13.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.802 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -41.96 -55.54 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.46 -53.37 30.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 16' ' ' TYR . 33.8 mt -55.73 -50.29 70.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.554 ' CD1' HG13 ' A' ' 55' ' ' VAL . 7.4 t80 -37.11 -47.76 0.77 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -55.44 -58.04 9.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -48.94 -51.85 27.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.727 HD13 ' CE2' ' A' ' 58' ' ' PHE . 18.0 mt -53.95 -56.78 14.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.492 HG21 ' CE1' ' A' ' 29' ' ' PHE . 20.6 t -109.48 81.17 1.72 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 175.39 8.16 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.524 HD11 ' N ' ' A' ' 26' ' ' VAL . 8.1 tp -127.35 97.87 5.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.7 m -122.39 -31.54 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -93.04 11.71 26.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.4 13.34 79.97 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.524 ' N ' HD11 ' A' ' 22' ' ' LEU . 6.3 p -154.48 117.04 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.165 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -74.51 116.58 15.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.507 ' HG3' HG22 ' A' ' 26' ' ' VAL . 78.9 mt-10 -147.57 133.17 18.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.492 ' CE1' HG21 ' A' ' 20' ' ' VAL . 23.8 m-85 -56.35 178.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.5 m -126.43 161.04 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.466 ' HA ' HD12 ' A' ' 34' ' ' LEU . 13.8 pt-20 -50.62 -20.42 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.579 ' H ' HD12 ' A' ' 32' ' ' ILE . 4.6 mp -82.33 -56.01 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -56.49 -48.86 76.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' ARG . 4.8 mt -54.25 -66.47 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 t -38.36 -27.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' LEU . 56.6 mtm180 -86.99 -41.7 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 34' ' ' LEU . 19.1 mt -60.67 -44.81 96.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.447 ' CD ' ' O ' ' A' ' 34' ' ' LEU . 0.8 OUTLIER -46.52 -52.14 13.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -43.75 -44.44 6.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.2 mt -69.01 -31.77 70.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.21 19.21 9.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.469 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 58.5 mt -94.74 90.59 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -76.56 64.7 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.835 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -128.41 146.72 50.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.4 m -112.9 -47.16 3.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -84.89 143.33 40.09 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 -8.16 22.91 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.723 2.282 . . . . 0.0 112.329 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.9 m -74.75 -52.18 12.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.8 p -57.08 -31.59 65.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.157 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.96 147.21 15.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' GLU . 9.8 t -123.89 152.84 41.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 51' ' ' THR . 43.2 mt-10 -34.47 -43.1 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -59.84 -46.46 89.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 51' ' ' THR . 6.3 mm-40 -72.02 -43.21 65.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.554 HG13 ' CD1' ' A' ' 16' ' ' TYR . 84.2 t -55.56 -55.9 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -55.53 -34.12 64.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -70.86 -51.94 23.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.727 ' CE2' HD13 ' A' ' 19' ' ' LEU . 21.9 t80 -57.15 -29.77 63.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.46 -42.18 18.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -49.58 -56.52 9.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.826 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.479 HD12 ' C ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.7 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.833 0.349 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.49 -42.78 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -65.86 -43.52 88.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.25 -59.62 4.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.19 -45.89 89.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -50.04 -59.38 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -45.17 -43.05 9.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -71.56 -39.28 70.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.616 HD13 ' CE2' ' A' ' 58' ' ' PHE . 68.7 mt -62.45 -44.36 96.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.573 HG21 ' CE1' ' A' ' 29' ' ' PHE . 58.4 t -122.34 80.61 45.47 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.647 0.737 . . . . 0.0 111.125 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 152.22 69.75 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.525 HD12 ' N ' ' A' ' 26' ' ' VAL . 6.5 tp -87.22 58.86 5.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.7 m -66.98 146.7 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 51.21 29.53 4.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.02 32.15 79.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.525 ' N ' HD12 ' A' ' 22' ' ' LEU . 2.7 p -158.0 113.5 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -79.53 145.18 33.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -171.77 141.16 1.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CE1' HG21 ' A' ' 20' ' ' VAL . 20.6 m-85 -65.28 157.55 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.474 ' N ' ' OE1' ' A' ' 33' ' ' GLN . 13.8 t -101.42 154.34 18.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.851 ' HA ' HD12 ' A' ' 34' ' ' LEU . 7.5 pt-20 -38.32 -39.73 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.4 mt -71.16 -55.05 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.474 ' OE1' ' N ' ' A' ' 30' ' ' SER . 34.6 mt-30 -50.32 -44.12 54.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' A' ' 31' ' ' GLU . 4.8 mt -57.29 -64.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 t -43.13 -27.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.7 mtt-85 -84.96 -35.66 21.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' LEU . 29.8 mt -66.24 -38.27 87.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -66.63 -43.54 84.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -53.97 -46.46 71.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.7 mt -62.68 -32.1 73.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.57 23.54 7.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.455 ' CG2' ' HD2' ' A' ' 44' ' ' LYS . 87.2 mt -80.09 -49.55 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 0.0 111.108 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.3 m80 62.98 49.98 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.455 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 16.8 mttp -130.41 146.66 52.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -109.25 -39.94 5.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -88.37 141.32 30.59 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.583 0.706 . . . . 0.0 110.849 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -4.59 14.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.33 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -85.75 -36.99 19.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.902 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.427 ' C ' ' HD3' ' A' ' 44' ' ' LYS . 21.7 p -63.42 -38.8 92.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -45.17 153.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.743 ' O ' HG23 ' A' ' 55' ' ' VAL . 72.1 p -118.59 -178.35 3.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -62.4 -39.25 92.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -69.82 -53.49 17.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -60.49 -34.03 73.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 51' ' ' THR . 20.4 t -63.77 -51.46 69.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.8 mtp85 -59.85 -34.96 73.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -72.26 -55.29 7.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.616 ' CE2' HD13 ' A' ' 19' ' ' LEU . 45.0 t80 -51.72 -51.49 55.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.462 ' HA ' HD11 ' A' ' 19' ' ' LEU . . . -60.58 -54.51 44.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 59' ' ' ALA . 36.9 mtp180 -34.75 -50.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 60' ' ' ARG . 32.9 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.797 0.332 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -100.24 -39.87 7.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -63.43 -34.42 77.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.2 -49.31 77.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 mp -71.82 -48.96 42.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.595 ' CD1' HG13 ' A' ' 55' ' ' VAL . 2.1 t80 -47.53 -53.88 13.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -50.36 -57.2 8.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -50.76 -52.36 41.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.0 mt -55.7 -52.91 62.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.5 t -110.9 81.31 2.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.58 0.705 . . . . 0.0 111.186 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 153.19 69.24 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.323 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.473 HD12 ' HE ' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -119.54 110.23 16.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.0 m -131.43 -36.57 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -85.72 21.38 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.431 ' C ' HD21 ' A' ' 22' ' ' LEU . . . 65.64 9.64 45.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.408 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.7 p -153.93 122.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.809 0.338 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.473 ' HE ' HD12 ' A' ' 22' ' ' LEU . 95.6 mtt180 -82.45 144.96 30.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -158.48 138.84 12.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -72.14 163.26 28.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.6 t -119.39 164.45 15.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.555 ' HA ' HD12 ' A' ' 34' ' ' LEU . 12.2 pt-20 -49.62 -33.45 15.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.6 mt -70.75 -54.31 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -58.29 -51.51 69.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 31' ' ' GLU . 5.0 mt -52.0 -66.66 0.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 t -38.5 -35.97 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.414 ' NH2' ' HB3' ' A' ' 61' ' ' LEU . 72.8 mtp180 -77.46 -39.64 45.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 34' ' ' LEU . 26.5 mt -64.79 -34.57 78.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -53.52 -50.06 66.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -47.6 -46.18 28.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.6 mt -63.86 -25.44 68.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.47 21.45 24.4 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 56.1 mt -97.38 97.69 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.379 . . . . 0.0 111.11 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -82.5 52.05 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.9 mttp -118.73 111.3 18.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -93.1 43.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.428 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 4.6 t70 -157.63 141.0 11.13 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.619 0.724 . . . . 0.0 110.838 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 46' ' ' ASP . 54.1 Cg_endo -69.77 -20.42 34.82 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.328 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.8 m -87.89 -41.66 13.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.1 p -57.34 -17.96 14.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 mp -85.95 147.51 26.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 54' ' ' GLU . 66.8 p -107.41 160.32 15.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -38.61 -51.55 1.64 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -54.9 -42.21 71.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 51' ' ' THR . 75.7 mt-10 -73.93 -29.86 62.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.595 HG13 ' CD1' ' A' ' 16' ' ' TYR . 89.0 t -69.97 -52.12 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -60.59 -37.43 81.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -60.67 -48.6 81.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -59.37 -43.5 92.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.9 95.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.12 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -38.45 -48.85 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.414 ' HB3' ' NH2' ' A' ' 36' ' ' ARG . 13.4 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.1 m . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.816 0.341 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.459 ' HA ' HD12 ' A' ' 15' ' ' LEU . 11.2 p-10 -75.79 -54.06 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -38.57 -56.73 1.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.96 -52.66 48.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.105 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 12' ' ' ASP . 27.0 mt -54.61 -43.44 72.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.514 ' CD1' HG13 ' A' ' 55' ' ' VAL . 15.7 t80 -60.9 -58.64 7.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -50.24 -47.48 55.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -61.31 -46.51 89.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.8 mt -59.91 -51.92 67.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.433 HG21 ' CE1' ' A' ' 29' ' ' PHE . 56.5 t -121.92 79.37 41.44 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.618 0.723 . . . . 0.0 111.089 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 154.8 67.54 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.7 2.267 . . . . 0.0 112.396 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.719 HD22 ' HG3' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -76.66 119.63 20.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.42 ' N ' HD13 ' A' ' 22' ' ' LEU . 12.0 m -131.49 133.41 61.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 54.97 37.11 28.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.62 34.86 71.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.1 p -166.93 141.01 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.799 0.333 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.719 ' HG3' HD22 ' A' ' 22' ' ' LEU . 65.3 mtm180 -113.79 142.85 45.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -150.69 127.94 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.433 ' CE1' HG21 ' A' ' 20' ' ' VAL . 23.2 m-85 -57.53 162.48 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.3 m -105.01 163.62 12.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' A' ' 34' ' ' LEU . 8.6 pt-20 -52.86 -37.63 60.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.3 mt -73.12 -42.08 58.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -63.54 -36.02 82.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 31' ' ' GLU . 5.3 mt -72.61 -65.31 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 t -42.07 -36.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.407 ' HD3' HD13 ' A' ' 61' ' ' LEU . 2.3 ptp180 -79.27 -30.27 42.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.497 HD21 ' CD1' ' A' ' 58' ' ' PHE . 12.0 mt -69.12 -41.36 77.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -43.07 -48.27 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.23 -51.9 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.545 HD11 HD11 ' A' ' 61' ' ' LEU . 17.6 mt -60.69 -32.04 71.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.7 25.2 8.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 97.7 mt -95.99 93.1 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 111.177 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -80.67 44.45 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -111.7 145.55 39.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.6 p -109.13 -44.84 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.431 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 9.2 t70 -75.49 140.12 71.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.603 0.716 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.471 ' HG3' ' CB ' ' A' ' 27' ' ' ARG . 53.7 Cg_endo -69.79 -11.0 29.9 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -86.76 -42.26 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.4 p -51.92 -44.51 63.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mp -56.27 141.82 39.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -105.1 159.27 15.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -40.79 -48.53 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -51.07 -37.98 48.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -84.22 -35.03 23.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.514 HG13 ' CD1' ' A' ' 16' ' ' TYR . 73.6 t -59.09 -47.21 90.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -62.23 -42.86 99.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -66.23 -59.14 4.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.549 ' O ' HD12 ' A' ' 61' ' ' LEU . 38.9 t80 -46.71 -52.87 12.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.13 -49.35 76.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 -38.65 -37.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 58' ' ' PHE . 16.7 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.3 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.818 0.342 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -101.14 -34.42 9.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -56.76 -27.31 59.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.491 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -65.94 -41.9 90.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.067 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.629 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -47.41 -38.07 12.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.579 ' CE1' HG13 ' A' ' 55' ' ' VAL . 2.7 m-85 -61.37 -61.97 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -37.96 -32.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.908 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 16' ' ' TYR . 58.3 mtt180 -89.18 -44.83 10.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.5 mt -60.17 -58.82 6.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 20' ' ' VAL . 7.1 p -109.8 79.03 1.34 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.658 0.742 . . . . 0.0 111.158 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 175.03 8.66 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.32 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.751 HD11 ' N ' ' A' ' 26' ' ' VAL . 11.2 tp -123.14 103.5 8.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.9 m -116.28 -29.42 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -96.63 -31.99 12.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.16 17.65 2.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.751 ' N ' HD11 ' A' ' 22' ' ' LEU . 6.2 p -155.75 122.04 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.342 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.458 ' HG3' HD13 ' A' ' 22' ' ' LEU . 34.1 mtt180 -79.55 81.17 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -110.49 141.92 42.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -66.25 -178.66 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.483 ' N ' ' OE1' ' A' ' 33' ' ' GLN . 2.9 m -135.93 159.68 40.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.526 ' HA ' HD12 ' A' ' 34' ' ' LEU . 7.0 pt-20 -39.04 -39.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.3 mt -63.21 -55.84 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.483 ' OE1' ' N ' ' A' ' 30' ' ' SER . 46.3 mt-30 -57.82 -52.75 64.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 31' ' ' GLU . 4.8 mt -51.98 -67.46 0.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' LEU . 2.8 t -36.82 -29.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 34' ' ' LEU . 74.2 mtt180 -85.69 -46.82 10.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' LEU . 15.3 mt -57.82 -35.05 70.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -60.58 -49.98 75.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -46.82 -51.66 16.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.4 mt -59.12 -33.3 70.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.74 23.42 6.84 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.414 HG22 ' HB2' ' A' ' 44' ' ' LYS . 58.0 mt -97.93 100.86 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.837 0.351 . . . . 0.0 111.149 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -80.49 50.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.414 ' HB2' HG22 ' A' ' 42' ' ' ILE . 25.7 mttp -120.58 131.24 54.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.5 p -112.52 33.92 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -151.83 138.79 12.17 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.6 0.714 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 0.17 6.04 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.26 . . . . 0.0 112.312 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.1 m -103.95 -41.93 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.408 ' C ' ' HD3' ' A' ' 44' ' ' LYS . 75.6 p -60.25 -23.54 64.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.123 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.523 HD22 ' OH ' ' A' ' 16' ' ' TYR . 5.0 mp -74.67 133.73 42.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 52' ' ' GLU . 14.7 t -92.34 155.46 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' THR . 31.8 mt-10 -34.28 -51.81 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -49.43 -47.91 47.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.812 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 51' ' ' THR . 0.3 OUTLIER -72.72 -37.6 67.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.579 HG13 ' CE1' ' A' ' 16' ' ' TYR . 87.4 t -56.33 -51.41 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.447 ' O ' ' CG ' ' A' ' 60' ' ' ARG . 87.1 mtt180 -55.56 -46.47 77.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -64.83 -61.86 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -47.89 -51.42 23.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.629 ' HB1' ' CB ' ' A' ' 15' ' ' LEU . . . -62.81 -45.83 90.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.12 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 8.8 mmt85 -44.45 -39.93 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.822 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.6 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.81 0.338 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.08 -35.28 15.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -52.93 -30.73 36.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.14 -35.87 81.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 18' ' ' ARG . 9.7 mt -77.0 -56.9 4.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.567 ' CG ' HG13 ' A' ' 55' ' ' VAL . 8.6 t80 -36.04 -48.77 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -60.54 -41.47 94.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' LEU . 24.0 ttm180 -75.1 -23.45 57.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.483 ' O ' ' NE2' ' A' ' 33' ' ' GLN . 14.6 mt -77.41 -38.38 49.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.443 HG21 ' CE2' ' A' ' 29' ' ' PHE . 35.4 t -131.71 76.77 73.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.604 0.716 . . . . 0.0 111.122 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 167.64 23.84 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.709 2.272 . . . . 0.0 112.323 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.68 HD21 ' N ' ' A' ' 26' ' ' VAL . 1.7 tt -130.73 100.99 5.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 24' ' ' ASN . 35.9 m -120.92 -40.74 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.431 ' N ' HG23 ' A' ' 23' ' ' VAL . 7.2 t-20 -70.19 -0.29 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.678 ' C ' HD21 ' A' ' 22' ' ' LEU . . . 90.47 7.21 67.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.68 ' N ' HD21 ' A' ' 22' ' ' LEU . 4.3 p -156.97 115.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 111.139 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.491 ' HG3' HD12 ' A' ' 22' ' ' LEU . 19.4 mtp180 -66.08 145.22 56.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -174.87 130.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.443 ' CE2' HG21 ' A' ' 20' ' ' VAL . 66.5 m-85 -62.64 177.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.8 t -116.55 159.45 22.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.811 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.888 ' HA ' HD12 ' A' ' 34' ' ' LEU . 7.0 pt-20 -50.55 -18.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.7 mm -87.17 -53.67 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 19' ' ' LEU . 79.7 mt-30 -55.55 -46.77 77.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.888 HD12 ' HA ' ' A' ' 31' ' ' GLU . 4.5 mt -47.56 -65.76 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' LEU . 3.5 t -37.56 -30.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' LEU . 17.3 mmm-85 -79.52 -43.4 23.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' LEU . 31.4 mt -64.11 -35.48 80.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -71.75 -45.42 61.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -51.09 -46.4 61.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -63.16 -32.44 73.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.969 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.68 14.45 7.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.523 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.462 ' CD1' ' HG2' ' A' ' 54' ' ' GLU . 93.8 mt -92.41 109.58 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.366 . . . . 0.0 111.182 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -87.92 50.39 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.419 ' HD3' HD22 ' A' ' 50' ' ' LEU . 24.7 mttt -121.11 140.82 51.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.4 p -114.52 -22.71 9.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.685 ' O ' HD23 ' A' ' 50' ' ' LEU . 14.0 m-20 -101.2 139.66 20.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.563 0.697 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -24.01 30.13 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.9 m -72.24 -26.87 62.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.8 p -90.13 18.84 5.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.699 HD13 ' OE1' ' A' ' 54' ' ' GLU . 1.4 mm? -99.42 149.25 23.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -117.49 150.6 38.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' THR . 17.0 mt-10 -36.27 -48.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -50.56 -46.31 57.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.699 ' OE1' HD13 ' A' ' 50' ' ' LEU . 53.0 mt-10 -76.1 -54.16 7.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.567 HG13 ' CG ' ' A' ' 16' ' ' TYR . 88.6 t -42.73 -46.2 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -69.92 -34.11 73.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -68.6 -58.76 3.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.646 ' O ' HD12 ' A' ' 61' ' ' LEU . 17.8 t80 -44.08 -41.19 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -74.98 -46.97 31.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.08 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 61' ' ' LEU . 22.3 mmt-85 -36.56 -44.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.646 HD12 ' O ' ' A' ' 58' ' ' PHE . 19.9 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.4 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.779 0.324 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.432 ' OD2' ' NH1' ' A' ' 56' ' ' ARG . 12.4 m-20 -71.71 -47.89 50.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -47.62 -55.58 9.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -38.76 -59.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.149 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 16' ' ' TYR . 6.8 mp -46.55 -55.04 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.655 ' CD1' HG13 ' A' ' 55' ' ' VAL . 18.6 t80 -35.43 -60.43 0.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -48.6 -45.37 38.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -61.21 -47.61 85.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.541 HD13 ' CD2' ' A' ' 58' ' ' PHE . 21.2 mt -58.06 -47.71 82.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.517 HG22 HE22 ' A' ' 33' ' ' GLN . 9.7 t -119.67 80.1 23.42 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.599 0.714 . . . . 0.0 111.122 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 161.52 45.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.24 . . . . 0.0 112.321 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.456 HD12 ' NE ' ' A' ' 27' ' ' ARG . 1.4 tt -111.37 121.58 45.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.546 HG23 ' H ' ' A' ' 24' ' ' ASN . 7.7 m -135.05 -54.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.094 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.546 ' H ' HG23 ' A' ' 23' ' ' VAL . 89.0 m-20 -83.53 35.09 0.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.402 ' HA2' HD21 ' A' ' 22' ' ' LEU . . . 53.55 13.66 3.06 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.9 t -151.48 117.57 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 111.16 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.456 ' NE ' HD12 ' A' ' 22' ' ' LEU . 54.3 mtt180 -84.42 123.8 30.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -138.5 139.77 38.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -65.06 -179.15 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 32' ' ' ILE . 13.4 t -130.55 146.08 52.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' SER . 3.7 pt-20 -35.9 -32.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 30' ' ' SER . 49.9 mt -72.29 -58.31 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.517 HE22 HG22 ' A' ' 20' ' ' VAL . 84.8 mt-30 -52.97 -57.68 9.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' LEU . 5.6 mt -45.59 -68.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.7 t -38.31 -34.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -79.86 -43.61 21.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' LEU . 24.1 mt -53.67 -39.02 64.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -61.55 -31.66 71.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -47.72 82.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.814 HD11 HD23 ' A' ' 61' ' ' LEU . 71.8 mt -66.26 -28.5 68.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.04 18.75 8.54 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.45 HG23 ' OE2' ' A' ' 54' ' ' GLU . 60.1 mt -92.58 116.8 34.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.896 0.379 . . . . 0.0 111.127 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -98.74 46.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.409 ' H ' HG22 ' A' ' 42' ' ' ILE . 71.3 mttt -117.17 139.87 50.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.1 m -107.81 -37.37 6.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -84.96 141.37 37.76 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.577 0.703 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -21.29 33.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.378 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 84.7 p -77.85 -26.66 49.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.5 p -71.06 -36.23 72.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -45.63 151.65 0.39 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 52' ' ' GLU . 9.0 t -126.11 149.24 49.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' THR . 10.6 pt-20 -34.48 -43.3 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -55.88 -52.82 62.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.45 ' OE2' HG23 ' A' ' 42' ' ' ILE . 65.7 mt-10 -71.1 -48.04 54.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.655 HG13 ' CD1' ' A' ' 16' ' ' TYR . 96.9 t -43.44 -44.79 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.432 ' NH1' ' OD2' ' A' ' 12' ' ' ASP . 80.9 mtt-85 -60.45 -44.16 96.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -65.76 -55.19 18.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.541 ' CD2' HD13 ' A' ' 19' ' ' LEU . 29.3 t80 -38.69 -38.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -81.14 -49.65 10.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.066 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' ALA . 2.1 mmp_? -37.11 -62.14 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.814 HD23 HD11 ' A' ' 40' ' ' LEU . 3.1 pp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.8 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.779 0.323 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.35 -42.0 7.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -51.17 -41.22 60.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.52 -55.51 20.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.0 mt -46.84 -46.51 20.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -46.4 -49.72 17.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -48.48 -52.86 20.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.847 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -60.76 -50.55 73.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.5 mt -48.64 -44.07 37.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.5 t -111.9 80.84 3.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.699 0.761 . . . . 0.0 111.17 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 163.94 36.38 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.53 HD13 ' CG ' ' A' ' 27' ' ' ARG . 14.3 tp -122.09 94.44 4.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.457 HG23 ' N ' ' A' ' 24' ' ' ASN . 34.7 m -106.86 -42.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.758 ' O ' HG12 ' A' ' 26' ' ' VAL . 20.5 m120 -97.82 42.0 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 42.62 39.87 3.62 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.758 HG12 ' O ' ' A' ' 24' ' ' ASN . 7.6 p -166.78 123.74 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.53 ' CG ' HD13 ' A' ' 22' ' ' LEU . 99.7 mtt180 -80.97 118.55 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -152.49 153.59 33.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -83.8 178.59 7.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -127.62 163.64 23.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.542 ' HA ' HD12 ' A' ' 34' ' ' LEU . 7.3 pt-20 -46.44 -29.76 1.87 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.49 ' H ' HD12 ' A' ' 32' ' ' ILE . 5.3 mp -75.33 -61.66 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -48.44 -50.67 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' A' ' 31' ' ' GLU . 4.8 mt -53.2 -65.49 0.55 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 t -39.26 -36.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.483 ' HD3' HD12 ' A' ' 61' ' ' LEU . 18.0 mtt180 -78.74 -38.02 39.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 34' ' ' LEU . 13.9 mt -57.4 -44.72 84.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -60.99 -48.79 80.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -49.51 -50.11 43.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.923 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 mt -62.69 -30.94 71.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.95 21.99 5.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 37.7 mt -103.59 98.74 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 111.115 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -86.37 72.1 10.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.822 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -149.75 148.71 29.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.6 p -112.45 -44.31 3.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.35 135.68 96.36 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.71 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.66 -3.45 11.97 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.373 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.2 m -102.04 -40.26 6.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.7 p -48.81 -47.81 41.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.133 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 mp -49.17 123.58 7.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.0 p -94.23 174.83 6.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -41.25 -43.8 2.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -63.76 -50.49 68.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.1 -42.21 89.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.8 t -61.74 -62.37 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -43.73 -42.73 5.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -68.41 -39.0 81.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.521 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 36.5 t80 -85.53 21.52 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -116.05 -38.71 3.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -60.77 -57.94 10.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.483 HD12 ' HD3' ' A' ' 36' ' ' ARG . 2.0 pt? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.925 ' O ' HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.769 0.319 . . . . 0.0 111.092 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.79 -53.65 7.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -54.58 -65.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.46 -19.54 24.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.072 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.925 HD23 ' O ' ' A' ' 11' ' ' THR . 2.9 mm? -79.26 -36.53 39.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -71.9 -50.01 32.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -40.15 -45.15 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.7 mtp85 -75.22 -52.42 10.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.446 HD13 ' CD2' ' A' ' 58' ' ' PHE . 14.5 mt -40.51 -43.65 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.3 t -109.68 81.45 1.93 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -177.07 1.69 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.339 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.733 HD13 ' HG3' ' A' ' 27' ' ' ARG . 13.7 tp -137.29 117.46 13.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 24' ' ' ASN . 33.9 m -124.8 -45.94 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.565 ' O ' HG12 ' A' ' 26' ' ' VAL . 36.5 t-20 -95.04 41.89 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 47.07 25.34 2.5 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.567 ' N ' HD11 ' A' ' 22' ' ' LEU . 13.9 p -158.98 123.29 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.85 0.357 . . . . 0.0 111.096 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.733 ' HG3' HD13 ' A' ' 22' ' ' LEU . 52.5 mtt180 -74.44 130.42 39.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.38 163.13 40.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.487 ' CE2' HD13 ' A' ' 50' ' ' LEU . 34.8 m-85 -96.92 162.78 13.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.7 p -109.52 165.8 11.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.515 ' HA ' HD12 ' A' ' 34' ' ' LEU . 16.8 pt-20 -50.01 -30.88 11.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.504 ' H ' HD12 ' A' ' 32' ' ' ILE . 5.3 mp -71.77 -59.11 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -49.26 -50.4 39.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.583 HD22 HG22 ' A' ' 45' ' ' THR . 5.1 mt -56.35 -66.09 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -39.14 -26.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 34' ' ' LEU . 76.4 mtt180 -87.57 -39.75 14.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.575 HD22 HD12 ' A' ' 42' ' ' ILE . 82.8 mt -62.59 -32.22 73.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -65.13 -41.65 94.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -53.79 -50.31 66.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.47 HD11 HD11 ' A' ' 61' ' ' LEU . 15.8 mt -62.03 -32.06 72.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.79 25.63 7.96 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.575 HD12 HD22 ' A' ' 37' ' ' LEU . 47.0 mt -77.9 -46.51 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 62.53 38.72 12.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.443 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 43.2 mttm -117.76 131.48 56.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.583 HG22 HD22 ' A' ' 34' ' ' LEU . 73.4 p -119.98 36.1 4.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -148.65 139.78 13.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -4.54 14.2 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.732 2.288 . . . . 0.0 112.372 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.1 t -99.7 -42.08 7.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.3 p -57.71 -41.55 81.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.139 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.487 HD13 ' CE2' ' A' ' 29' ' ' PHE . 3.9 mp -60.76 118.24 6.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 52' ' ' GLU . 43.2 p -96.92 162.61 13.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 51' ' ' THR . 44.2 mt-10 -34.4 -45.58 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.63 -53.22 60.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.75 -37.44 81.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.0 t -65.16 -61.41 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 5.9 ptp180 -45.84 -37.07 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 4.9 mtmp? -73.33 -36.73 66.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.446 ' CD2' HD13 ' A' ' 19' ' ' LEU . 42.8 t80 -65.18 -51.57 60.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -57.5 -45.76 84.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 59' ' ' ALA . 11.2 mmm180 -36.34 -48.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.47 HD11 HD11 ' A' ' 40' ' ' LEU . 4.1 mp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.5 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.785 0.326 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -85.52 -40.48 16.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -47.43 -50.4 22.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.29 -65.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.1 mt -39.32 -42.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -45.48 -60.12 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -51.02 -41.78 60.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -63.97 -42.36 97.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.3 mt -62.56 -49.72 74.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.542 HG11 ' O ' ' A' ' 27' ' ' ARG . 90.6 t -107.58 78.41 0.69 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.636 0.731 . . . . 0.0 111.13 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 172.63 12.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.723 2.282 . . . . 0.0 112.306 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.604 HD13 ' HG3' ' A' ' 27' ' ' ARG . 12.6 tp -130.95 94.03 3.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.522 HG23 ' N ' ' A' ' 24' ' ' ASN . 35.1 m -109.57 -46.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.143 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.522 ' N ' HG23 ' A' ' 23' ' ' VAL . 51.4 m-20 -79.57 -32.35 42.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.53 20.16 1.98 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.465 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.45 ' CG1' ' HG3' ' A' ' 28' ' ' GLU . 42.4 t -147.03 124.46 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 111.115 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.604 ' HG3' HD13 ' A' ' 22' ' ' LEU . 45.3 mtt180 -83.05 37.53 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.45 ' HG3' ' CG1' ' A' ' 26' ' ' VAL . 12.0 mt-10 -86.03 129.53 34.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -49.72 176.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 t -117.12 157.42 25.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.723 ' HA ' HD12 ' A' ' 34' ' ' LEU . 7.6 pt-20 -43.42 -36.0 1.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.499 ' H ' HD12 ' A' ' 32' ' ' ILE . 5.2 mp -69.58 -48.78 63.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -61.11 -40.77 95.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 31' ' ' GLU . 3.8 mt -66.13 -60.8 2.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -43.51 -39.78 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -79.68 -24.68 41.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.492 HD23 HD12 ' A' ' 42' ' ' ILE . 3.6 mt -72.01 -42.22 66.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -43.92 -50.15 8.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -43.71 -51.61 7.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.599 HD11 HD21 ' A' ' 61' ' ' LEU . 19.3 mt -61.8 -32.07 72.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.29 22.07 8.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.492 HD12 HD23 ' A' ' 37' ' ' LEU . 80.6 mt -92.26 89.94 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.883 0.373 . . . . 0.0 111.08 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -79.54 45.86 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -115.25 155.41 27.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.6 p -124.16 -34.58 2.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -83.09 137.39 43.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.713 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 1.97 3.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.7 m -98.27 -44.25 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.1 p -53.8 -38.69 64.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mp -58.72 129.75 43.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 52' ' ' GLU . 15.1 t -100.3 162.92 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' THR . 12.9 pt-20 -36.04 -45.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -56.44 -63.05 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -38.45 69.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.68 -59.7 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 11.2 ptp180 -55.34 -37.55 67.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 22.9 mtpp -67.21 -51.67 50.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -52.13 -38.38 57.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.75 96.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 61' ' ' LEU . 31.3 mtp180 -43.75 -48.16 8.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.599 HD21 HD11 ' A' ' 40' ' ' LEU . 4.3 mm? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.825 0.345 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.739 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -52.28 -34.09 44.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.469 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 22.4 tttp -65.19 -58.39 6.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.04 -35.27 33.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.739 HD12 ' HA ' ' A' ' 12' ' ' ASP . 5.3 mt -73.98 -27.23 60.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.468 ' CD1' HG13 ' A' ' 55' ' ' VAL . 2.7 t80 -75.31 -36.74 61.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 13' ' ' LYS . 41.9 m-80 -67.15 -51.72 50.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.472 ' CG ' ' N ' ' A' ' 19' ' ' LEU . 21.6 ptt85 -59.75 -46.4 89.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.595 HD12 ' O ' ' A' ' 15' ' ' LEU . 25.0 mt -58.61 -40.84 84.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.2 t -117.16 81.23 12.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.642 0.734 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 178.15 4.86 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.714 2.276 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.46 HD11 ' N ' ' A' ' 26' ' ' VAL . 8.8 tp -127.35 111.4 13.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.4 m -127.76 -43.4 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -83.44 6.79 18.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.64 0.88 90.38 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.512 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.46 ' N ' HD11 ' A' ' 22' ' ' LEU . 4.9 p -148.09 117.09 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -57.33 127.25 31.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -151.11 133.89 15.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -67.01 172.97 3.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.0 t -127.19 166.86 16.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -48.1 -26.31 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.509 ' H ' HD12 ' A' ' 32' ' ' ILE . 5.4 mp -75.25 -61.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -51.66 -51.68 53.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' LEU . 4.8 mt -54.18 -67.13 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' LEU . 4.1 t -37.35 -32.37 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 34' ' ' LEU . 30.8 mtt-85 -80.87 -45.12 17.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 34' ' ' LEU . 18.6 mt -59.71 -38.33 81.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -47.26 -46.42 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.929 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.94 -50.82 63.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.92 -29.01 68.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.929 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.89 22.87 14.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.484 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.454 HG23 ' HD2' ' A' ' 44' ' ' LYS . 33.7 mt -96.07 102.16 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 0.0 111.138 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -86.62 51.01 2.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.454 ' HD2' HG23 ' A' ' 42' ' ' ILE . 29.9 mttm -115.68 107.18 14.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.632 ' O ' HG22 ' A' ' 45' ' ' THR . 24.8 m -89.68 35.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.416 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 1.7 t70 -154.82 141.04 12.96 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.621 0.724 . . . . 0.0 110.872 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 46' ' ' ASP . 53.6 Cg_endo -69.8 -27.13 26.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.619 2.213 . . . . 0.0 112.338 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.1 m -68.18 -49.8 58.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.4 p -54.26 -53.41 54.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.096 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 mp -43.45 125.67 4.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 52' ' ' GLU . 25.9 p -99.08 162.53 13.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 51' ' ' THR . 12.3 mt-10 -34.49 -46.17 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -57.73 -52.41 65.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.43 -36.3 83.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.468 HG13 ' CD1' ' A' ' 16' ' ' TYR . 84.3 t -64.12 -58.07 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.1 ptm85 -58.85 -42.36 89.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -58.87 -38.47 78.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.44 ' CE2' HD13 ' A' ' 19' ' ' LEU . 50.3 t80 -71.88 -47.37 53.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.52 -34.53 36.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.8 mtp85 -59.24 -43.06 92.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.2 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.954 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.744 0.307 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -91.81 -35.54 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -57.57 -38.69 75.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.57 -56.54 20.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' TYR . 7.2 mp -59.47 -53.64 55.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.756 ' CD1' HG13 ' A' ' 55' ' ' VAL . 3.8 t80 -35.15 -48.44 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -52.4 -56.4 15.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -54.77 -49.86 69.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.27 -46.45 72.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 63.8 t -110.36 79.64 1.72 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.738 . . . . 0.0 111.171 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 158.59 56.41 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.306 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.41 ' HG ' ' CG ' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -118.56 106.97 13.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 m -129.8 -39.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -85.73 24.06 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.69 13.63 46.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.458 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.2 p -152.78 128.76 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.179 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.41 ' CG ' ' HG ' ' A' ' 22' ' ' LEU . 86.2 mtt180 -92.09 99.66 12.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -133.3 133.97 43.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -52.33 -179.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.4 t -132.35 158.57 41.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.559 ' HA ' HD12 ' A' ' 34' ' ' LEU . 7.9 pt-20 -45.46 -34.73 3.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.9 mm -70.35 -59.32 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.121 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -50.3 -59.57 3.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.705 ' CD2' HG22 ' A' ' 45' ' ' THR . 5.4 mt -40.85 -67.12 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 t -38.6 -35.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.4 mtm180 -79.32 -41.04 28.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 34' ' ' LEU . 22.7 mt -57.73 -46.78 83.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.02 -54.93 9.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -43.68 -50.1 7.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.6 mt -57.93 -31.12 66.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.6 23.68 11.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.658 HG22 ' HB2' ' A' ' 44' ' ' LYS . 43.5 mt -77.17 -53.61 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 0.0 111.137 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 62.46 43.08 8.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.658 ' HB2' HG22 ' A' ' 42' ' ' ILE . 33.9 mtmt -135.31 132.08 37.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.705 HG22 ' CD2' ' A' ' 34' ' ' LEU . 77.6 p -115.22 49.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -155.43 130.21 5.04 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 0.85 5.05 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.356 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -103.83 -39.36 6.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.1 p -67.5 -45.32 76.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -51.47 123.18 9.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.9 p -90.66 166.58 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -40.73 -50.57 3.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -53.85 -45.6 70.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.448 ' OE2' HG23 ' A' ' 42' ' ' ILE . 4.8 mm-40 -63.5 -50.61 68.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.756 HG13 ' CD1' ' A' ' 16' ' ' TYR . 86.8 t -54.14 -58.28 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 11.5 ptm180 -49.49 -36.37 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 18.5 mtpp -71.77 -40.34 69.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.49 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 79.0 t80 -83.53 20.53 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.58 -31.12 5.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -91.82 -37.59 12.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.823 ' C ' HD22 ' A' ' 61' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.0 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.797 0.332 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -85.63 -33.36 21.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -53.58 -39.63 64.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.87 -44.07 81.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 16' ' ' TYR . 14.3 mt -71.34 -60.76 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.597 ' CD1' HG13 ' A' ' 55' ' ' VAL . 9.2 t80 -36.95 -48.82 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -47.48 -50.71 22.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 19' ' ' LEU . 23.3 ttt85 -62.65 -70.35 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.683 HD12 ' H ' ' A' ' 19' ' ' LEU . 6.8 mp -33.99 -45.07 0.19 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.4 t -107.33 81.34 1.02 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.672 0.748 . . . . 0.0 111.142 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 19' ' ' LEU . 54.2 Cg_endo -69.72 161.74 44.75 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.662 2.242 . . . . 0.0 112.38 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.494 HD11 ' N ' ' A' ' 26' ' ' VAL . 6.7 tp -124.52 99.11 6.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.3 m -117.16 -33.15 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -99.88 33.91 2.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 50.54 25.33 8.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.496 HG12 ' HG3' ' A' ' 28' ' ' GLU . 67.8 t -155.09 120.06 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 111.122 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.417 ' CG ' HD13 ' A' ' 22' ' ' LEU . 27.7 mtt180 -77.34 119.29 20.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.496 ' HG3' HG12 ' A' ' 26' ' ' VAL . 49.9 mt-10 -152.69 144.51 23.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -69.54 151.03 46.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 32' ' ' ILE . 31.3 t -97.32 153.06 18.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.758 ' HA ' HD12 ' A' ' 34' ' ' LEU . 10.7 pt-20 -35.61 -31.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 30' ' ' SER . 22.9 mt -71.95 -65.94 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -42.26 -48.54 4.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' A' ' 31' ' ' GLU . 4.0 mt -54.57 -63.74 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 t -38.73 -41.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.435 ' CD ' ' O ' ' A' ' 32' ' ' ILE . 2.3 mpt_? -71.95 -65.54 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.1 mt -40.93 -35.67 0.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -52.12 -44.42 64.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -53.04 -40.79 64.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.6 mt -72.05 -21.38 61.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.65 18.41 35.34 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 57.6 mt -89.27 92.53 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 111.162 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -83.15 47.93 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -117.66 108.28 15.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.8 m -74.18 -46.73 40.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -71.76 137.97 82.84 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.594 0.711 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -12.68 33.44 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.671 2.247 . . . . 0.0 112.391 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.6 -48.07 12.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.8 p -50.19 -38.48 40.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.8 mp -53.61 141.22 26.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 52' ' ' GLU . 12.3 t -101.28 147.42 26.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' THR . 11.9 pt-20 -35.4 -36.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 51' ' ' THR . 24.3 tt0 -60.71 -60.19 4.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -58.03 -41.79 83.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.597 HG13 ' CD1' ' A' ' 16' ' ' TYR . 85.2 t -52.71 -56.33 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -54.63 -42.43 71.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -61.6 -55.19 33.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.482 ' CE2' HD23 ' A' ' 19' ' ' LEU . 52.9 t80 -56.17 -16.01 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.3 16.31 18.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -102.99 -60.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.1 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.766 0.317 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 13' ' ' LYS . 20.2 p-10 -82.13 -50.14 9.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' ASP . 16.3 mtpp -37.01 -55.26 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.24 -57.43 8.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' TYR . 45.4 mt -50.73 -58.42 5.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' LEU . 9.0 t80 -35.14 -60.48 0.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -42.34 -53.76 4.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -57.76 -45.59 85.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.914 HD13 ' CE2' ' A' ' 58' ' ' PHE . 22.5 mt -57.59 -46.58 83.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 27' ' ' ARG . 94.3 t -108.76 81.18 1.4 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.696 0.76 . . . . 0.0 111.134 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 156.62 62.9 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.654 2.236 . . . . 0.0 112.34 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.732 HD12 ' HE ' ' A' ' 27' ' ' ARG . 1.1 tt -127.2 101.37 6.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.3 m -126.52 -27.34 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -98.89 28.96 4.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.4 11.42 9.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.2 t -151.14 124.31 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.793 0.33 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.732 ' HE ' HD12 ' A' ' 22' ' ' LEU . 97.8 mtt180 -88.3 127.38 35.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -155.53 137.65 14.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -63.35 173.41 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -122.98 163.67 19.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.576 ' HA ' HD12 ' A' ' 34' ' ' LEU . 5.1 pt-20 -43.78 -30.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.8 mt -74.4 -62.05 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -47.83 -53.64 14.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 31' ' ' GLU . 5.8 mt -48.02 -65.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 t -43.11 -35.3 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -75.55 -32.0 60.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 34' ' ' LEU . 10.5 mt -82.11 -24.65 35.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -64.73 -56.24 14.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -45.25 -49.7 12.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.2 mt -58.37 -33.58 69.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.14 19.04 9.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.4 mt -105.16 98.3 6.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.845 0.355 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -89.93 46.04 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -102.81 89.17 3.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.0 m -58.93 -49.33 78.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -68.62 135.66 90.46 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.589 0.709 . . . . 0.0 110.845 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -13.78 34.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.658 2.238 . . . . 0.0 112.315 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.2 m -81.01 -47.96 12.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.5 p -47.86 -49.12 30.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.2 mp -38.91 140.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 52' ' ' GLU . 61.3 p -114.76 157.86 22.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 51' ' ' THR . 11.1 mt-10 -34.37 -50.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -54.68 -56.12 22.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.29 -47.35 83.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.5 t -54.81 -57.81 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -46.4 -47.25 18.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -62.92 -49.18 75.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.914 ' CE2' HD13 ' A' ' 19' ' ' LEU . 39.9 t80 -56.05 -48.35 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -54.57 -52.94 60.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 59' ' ' ALA . 61.5 mtt180 -35.47 -52.04 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 60' ' ' ARG . 56.7 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.0 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.765 0.317 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -91.76 -48.22 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -43.71 -51.29 7.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.57 -51.13 66.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.5 mt -57.46 -48.11 80.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -45.64 -58.02 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -40.19 -53.87 2.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -61.22 -47.65 85.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.508 HD13 ' CD2' ' A' ' 58' ' ' PHE . 11.6 mt -52.0 -48.45 64.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.1 t -109.72 80.41 1.64 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.597 0.713 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 168.01 22.77 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.635 2.223 . . . . 0.0 112.336 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.667 HD11 ' N ' ' A' ' 26' ' ' VAL . 13.5 tp -128.17 99.12 5.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.5 m -107.89 -34.21 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -105.58 36.45 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 50.96 21.75 5.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.529 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.667 ' N ' HD11 ' A' ' 22' ' ' LEU . 92.0 t -147.44 119.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 111.139 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.5 ' HG3' HD13 ' A' ' 22' ' ' LEU . 62.7 mtt-85 -76.06 134.32 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -156.03 163.7 39.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -92.05 170.39 9.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 31' ' ' GLU . 13.7 t -122.12 152.04 40.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.494 ' HA ' HD12 ' A' ' 34' ' ' LEU . 8.7 pt-20 -36.0 -40.32 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.407 HG22 ' NE ' ' A' ' 36' ' ' ARG . 49.8 mt -64.81 -62.92 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -46.05 -56.7 5.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 31' ' ' GLU . 5.3 mt -48.68 -65.74 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 t -41.77 -35.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.407 ' NE ' HG22 ' A' ' 32' ' ' ILE . 49.1 mtm180 -76.82 -43.49 36.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.408 HD21 ' CD1' ' A' ' 58' ' ' PHE . 41.3 mt -61.56 -43.63 98.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -45.06 -52.18 9.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -48.17 -47.72 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.0 -31.67 73.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.3 22.33 8.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.586 HG23 ' HD2' ' A' ' 44' ' ' LYS . 39.9 mt -98.07 97.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 111.118 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -88.2 45.45 1.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.586 ' HD2' HG23 ' A' ' 42' ' ' ILE . 27.4 mttp -110.74 112.95 25.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 43.5 p -81.36 -33.92 32.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.424 ' CG ' ' H ' ' A' ' 48' ' ' SER . 5.8 t0 -77.17 125.48 86.55 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.566 0.698 . . . . 0.0 110.891 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 2.9 3.14 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.308 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.424 ' H ' ' CG ' ' A' ' 46' ' ' ASP . 2.9 t -102.94 -38.17 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.885 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.406 HG23 ' OD2' ' A' ' 46' ' ' ASP . 22.7 p -55.92 -53.56 55.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mp -39.53 140.98 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.48 HG22 ' HG2' ' A' ' 54' ' ' GLU . 8.0 t -102.47 160.82 14.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -39.46 -43.25 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.43 -41.78 85.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.48 ' HG2' HG22 ' A' ' 51' ' ' THR . 42.8 mm-40 -77.25 -33.63 55.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.6 t -66.51 -51.56 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 11.9 ptm180 -55.91 -45.36 78.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 47.9 mtmt -61.67 -42.4 98.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.508 ' CD2' HD13 ' A' ' 19' ' ' LEU . 24.7 t80 -55.15 -39.75 69.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.66 -38.39 25.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -40.46 -42.98 1.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.475 HD12 ' C ' ' A' ' 61' ' ' LEU . 2.3 pp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.7 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.827 0.346 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.59 -52.28 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -45.2 -46.54 12.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.75 -48.51 29.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.05 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.437 HD22 ' HB1' ' A' ' 59' ' ' ALA . 6.3 mp -70.7 -57.12 5.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.733 ' CD1' HG13 ' A' ' 55' ' ' VAL . 3.0 t80 -36.72 -41.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -65.94 -58.87 4.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -52.31 -47.39 65.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.789 HD13 ' CE2' ' A' ' 58' ' ' PHE . 49.7 mt -58.66 -50.29 74.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.6 t -116.16 81.17 10.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.578 0.704 . . . . 0.0 111.148 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 165.96 29.16 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.587 HD12 ' HE ' ' A' ' 27' ' ' ARG . 1.1 tt -129.19 103.32 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 24' ' ' ASN . 24.1 m -125.81 -41.23 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.409 ' N ' HG23 ' A' ' 23' ' ' VAL . 5.9 m-20 -81.62 15.58 2.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.434 ' C ' HD21 ' A' ' 22' ' ' LEU . . . 72.47 1.2 51.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.5 p -140.06 126.92 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.779 0.323 . . . . 0.0 111.153 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.587 ' HE ' HD12 ' A' ' 22' ' ' LEU . 95.5 mtt180 -89.09 119.63 29.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -138.14 137.99 38.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.437 ' HB2' HD21 ' A' ' 34' ' ' LEU . 85.4 m-85 -68.98 -177.75 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.2 m -135.21 157.01 48.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.5 ' HA ' HD12 ' A' ' 34' ' ' LEU . 11.1 pt-20 -41.15 -41.8 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.8 mm -64.14 -63.93 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -48.19 -49.02 34.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 31' ' ' GLU . 4.1 mt -58.68 -60.14 4.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 t -45.69 -21.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -95.48 -33.23 12.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.549 ' HA ' HD12 ' A' ' 40' ' ' LEU . 14.9 mt -70.74 -35.43 72.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -49.26 -53.96 19.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -45.81 -49.97 14.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 37' ' ' LEU . 12.2 mt -58.11 -27.09 63.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.22 22.34 30.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.647 HG22 ' HB2' ' A' ' 44' ' ' LYS . 89.4 mt -80.05 -44.81 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 111.099 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 39.77 53.36 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.647 ' HB2' HG22 ' A' ' 42' ' ' ILE . 19.4 mttm -124.67 105.29 9.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.9 p -82.71 44.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.417 ' OD2' HG23 ' A' ' 49' ' ' THR . 9.5 t0 -157.59 124.14 2.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.589 0.709 . . . . 0.0 110.854 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 1.73 4.15 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 0.0 112.362 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m -99.77 -37.04 9.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.417 HG23 ' OD2' ' A' ' 46' ' ' ASP . 43.4 p -65.34 -51.93 57.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mp -41.65 128.02 3.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.457 ' HG1' ' CD ' ' A' ' 54' ' ' GLU . 26.1 p -96.08 160.54 14.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 51' ' ' THR . 28.6 mt-10 -34.52 -50.8 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -55.03 -47.77 74.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.457 ' CD ' ' HG1' ' A' ' 51' ' ' THR . 2.4 mp0 -69.84 -28.89 66.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.733 HG13 ' CD1' ' A' ' 16' ' ' TYR . 89.4 t -70.86 -51.79 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -63.43 -40.22 96.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -63.14 -45.91 89.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.789 ' CE2' HD13 ' A' ' 19' ' ' LEU . 15.1 t80 -59.65 -33.31 71.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -70.46 -43.31 70.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 59' ' ' ALA . 16.5 mmt180 -35.6 -53.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.4 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.574 ' O ' HD13 ' A' ' 15' ' ' LEU . 92.2 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.807 0.337 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -104.67 -42.03 5.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -53.22 -41.63 65.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.7 -62.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 11' ' ' THR . 9.6 mp -50.13 -46.8 54.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.612 ' CD1' HG13 ' A' ' 55' ' ' VAL . 4.9 t80 -39.58 -58.63 1.26 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -50.0 -44.34 51.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -62.63 -45.11 94.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.61 -44.85 92.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.8 t -111.7 80.88 3.06 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.71 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 152.24 69.28 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.664 2.243 . . . . 0.0 112.328 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.549 ' CD1' ' C ' ' A' ' 26' ' ' VAL . 12.3 tp -107.22 89.01 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.1 m -109.69 -30.53 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.497 ' O ' HG12 ' A' ' 26' ' ' VAL . 14.7 m-20 -104.98 37.86 2.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.94 34.32 22.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.549 ' C ' ' CD1' ' A' ' 22' ' ' LEU . 8.1 p -165.94 135.33 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 111.137 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.449 ' HG3' HD13 ' A' ' 22' ' ' LEU . 29.3 mtm180 -86.42 37.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -66.57 129.96 41.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -60.87 173.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -118.43 156.0 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.582 ' HA ' HD12 ' A' ' 34' ' ' LEU . 5.2 pt-20 -45.19 -36.68 3.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.7 mt -71.52 -51.8 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -56.26 -37.0 69.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.598 HD22 HG22 ' A' ' 45' ' ' THR . 4.0 mt -72.89 -60.73 2.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -44.31 -37.47 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.546 ' HD3' HD11 ' A' ' 61' ' ' LEU . 3.0 ptp180 -78.51 -29.9 46.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 34' ' ' LEU . 8.0 mt -66.81 -45.52 78.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -44.22 -52.85 7.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.471 ' N ' ' HE2' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -42.33 -50.68 5.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mt -63.6 -32.07 73.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.69 26.33 8.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.447 ' O ' HG22 ' A' ' 42' ' ' ILE . 39.0 mt -98.72 85.85 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 111.146 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -70.91 68.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.492 ' HB3' HD12 ' A' ' 50' ' ' LEU . 17.6 mttp -145.45 129.94 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.598 HG22 HD22 ' A' ' 34' ' ' LEU . 81.2 p -118.62 18.3 13.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.64 133.61 22.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 110.83 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -1.36 8.31 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.1 m -109.82 -37.53 5.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.1 p -59.28 -53.02 63.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.492 HD12 ' HB3' ' A' ' 44' ' ' LYS . 6.0 mp -44.43 136.29 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 54' ' ' GLU . 8.8 t -104.38 154.95 19.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 53' ' ' GLU . 15.3 pt-20 -36.37 -47.62 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.481 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 15.4 tt0 -53.7 -44.85 70.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 51' ' ' THR . 92.7 mt-10 -74.76 -37.8 62.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.612 HG13 ' CD1' ' A' ' 16' ' ' TYR . 92.5 t -58.61 -55.66 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 9.3 ptm180 -52.92 -46.37 68.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 26.6 mtmt -64.24 -45.8 86.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.28 -37.62 86.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.37 -39.45 59.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.3 mtt-85 -55.08 -62.58 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.546 HD11 ' HD3' ' A' ' 36' ' ' ARG . 1.1 pp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.4 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.764 0.316 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -88.83 -43.35 11.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -50.25 -51.39 44.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.61 -48.61 66.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.31 -43.32 96.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -49.78 -59.2 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -43.38 -54.4 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -59.68 -52.13 66.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.8 mt -52.12 -38.98 59.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.5 t -114.92 80.78 6.95 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 0.0 111.114 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 168.03 22.83 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.677 2.251 . . . . 0.0 112.36 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.475 HD22 ' HG3' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -93.84 111.96 23.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.9 m -124.1 131.86 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 56.04 39.04 30.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.19 23.49 59.82 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.8 p -153.47 151.15 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.136 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.475 ' HG3' HD22 ' A' ' 22' ' ' LEU . 88.4 mtt180 -109.28 119.04 38.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -135.18 138.76 43.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -72.87 113.19 9.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -59.53 170.55 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.645 ' HA ' HD12 ' A' ' 34' ' ' LEU . 2.3 tp10 -56.64 -43.54 80.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.2 mm -63.39 -34.51 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.488 ' OE1' ' CZ ' ' A' ' 58' ' ' PHE . 5.9 mm100 -70.84 -49.28 47.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.825 HD22 HG22 ' A' ' 45' ' ' THR . 4.0 mt -57.54 -64.25 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 34' ' ' LEU . 3.2 t -37.24 -28.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 34' ' ' LEU . 34.6 mtp85 -85.19 -42.62 14.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.558 ' HG ' ' CE1' ' A' ' 58' ' ' PHE . 36.5 mt -61.22 -32.66 72.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 41' ' ' GLY . 21.7 mtmm -65.14 -49.73 68.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -44.09 -49.33 8.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.5 mt -63.82 -25.74 68.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 95.26 18.38 33.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.461 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.64 HG22 ' HB2' ' A' ' 44' ' ' LYS . 44.6 mt -69.51 -50.67 48.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 111.089 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 62.12 41.45 10.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.64 ' HB2' HG22 ' A' ' 42' ' ' ILE . 20.8 mtmm -127.76 109.05 11.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.825 HG22 HD22 ' A' ' 34' ' ' LEU . 79.4 p -94.55 29.5 2.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.405 ' HB3' HG23 ' A' ' 49' ' ' THR . 15.1 t70 -136.43 130.59 18.13 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.655 0.74 . . . . 0.0 110.854 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -2.65 10.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.331 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -104.85 -30.12 10.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.436 ' O ' ' CD ' ' A' ' 44' ' ' LYS . 70.7 p -75.03 -12.92 60.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -83.52 133.33 34.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 52' ' ' GLU . 14.6 t -102.01 160.52 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' THR . 37.2 mt-10 -37.87 -40.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -61.17 -50.33 73.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.45 ' HB3' HD13 ' A' ' 42' ' ' ILE . 6.1 mm-40 -71.32 -26.26 62.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.6 t -73.01 -51.33 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 24.0 ptt180 -59.52 -42.95 93.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.478 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 20.1 mtpp -65.01 -45.23 86.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.558 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 8.6 t80 -64.2 -42.68 96.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.84 -38.59 86.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -40.69 -49.58 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.0 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.737 0.303 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.27 -44.06 11.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -64.04 -44.34 92.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.04 -57.86 5.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' TYR . 9.5 mp -63.72 -48.06 78.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.553 ' CD1' HG13 ' A' ' 55' ' ' VAL . 3.7 t80 -35.98 -42.87 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -63.42 -54.11 41.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.1 mtp85 -56.28 -37.71 70.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.538 HD11 ' HA ' ' A' ' 59' ' ' ALA . 8.5 mt -66.64 -52.18 47.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.3 t -109.8 74.86 0.78 Allowed Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.582 0.706 . . . . 0.0 111.1 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 161.35 46.27 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.616 HD11 ' C ' ' A' ' 25' ' ' GLY . 6.4 tp -102.86 98.06 8.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.622 HG23 ' N ' ' A' ' 24' ' ' ASN . 29.4 m -104.45 -52.39 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.622 ' N ' HG23 ' A' ' 23' ' ' VAL . 26.3 m120 -99.64 40.65 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.616 ' C ' HD11 ' A' ' 22' ' ' LEU . . . 56.83 15.29 12.28 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.568 ' N ' HD11 ' A' ' 22' ' ' LEU . 51.8 t -133.69 135.18 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.532 ' HG2' HD13 ' A' ' 22' ' ' LEU . 14.5 mmt180 -91.97 33.6 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.5 ' H ' HG12 ' A' ' 26' ' ' VAL . 11.0 pt-20 -78.03 127.8 32.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -50.64 171.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 t -106.43 164.34 12.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.751 ' HA ' HD12 ' A' ' 34' ' ' LEU . 8.7 pt-20 -49.6 -34.39 17.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.4 mt -71.77 -52.59 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 19' ' ' LEU . 92.9 mt-30 -54.25 -52.68 60.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 31' ' ' GLU . 5.2 mt -47.94 -67.46 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' LEU . 2.3 t -38.17 -35.06 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -77.84 -49.84 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.7 mt -51.51 -35.94 42.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -64.7 -28.02 69.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.83 -48.81 67.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.64 -32.95 74.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.62 23.29 6.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 65.0 mt -93.6 88.47 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.348 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -72.83 67.69 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.0 mttt -135.81 167.94 20.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.8 p -132.15 -39.41 1.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.413 ' O ' HD23 ' A' ' 50' ' ' LEU . 2.9 m-20 -89.7 142.71 29.47 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.542 0.687 . . . . 0.0 110.943 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -21.2 33.74 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 95.2 p -70.57 -37.35 73.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.3 p -67.23 -30.1 69.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.435 ' CD1' ' HB3' ' A' ' 54' ' ' GLU . 3.5 mm? -54.5 145.06 19.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.672 ' O ' HG23 ' A' ' 55' ' ' VAL . 30.1 p -109.32 168.97 9.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -52.09 -40.53 61.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.422 ' HG2' ' NZ ' ' A' ' 57' ' ' LYS . 7.5 tt0 -62.93 -50.12 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.493 ' N ' ' CD ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -64.69 -37.35 87.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 51' ' ' THR . 85.0 t -65.13 -59.01 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -54.39 -24.68 20.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.422 ' NZ ' ' HG2' ' A' ' 53' ' ' GLU . 19.7 mtmm -83.63 -49.14 9.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.401 ' HA ' HD23 ' A' ' 61' ' ' LEU . 48.0 t80 -64.21 -23.67 67.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.538 ' HA ' HD11 ' A' ' 19' ' ' LEU . . . -75.72 -9.01 58.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.479 ' HG2' ' N ' ' A' ' 61' ' ' LEU . 2.4 ptm180 -89.99 -35.5 15.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.479 ' N ' ' HG2' ' A' ' 60' ' ' ARG . 4.2 mm? . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.743 ' O ' HD23 ' A' ' 15' ' ' LEU . 34.5 m . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.793 0.33 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -81.48 -57.93 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -42.16 -52.88 4.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.37 92.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 11' ' ' THR . 0.6 OUTLIER -60.19 -51.05 71.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.412 ' HA ' HD12 ' A' ' 19' ' ' LEU . 12.1 t80 -61.98 -52.29 64.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -49.07 -40.46 31.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -76.73 -46.08 26.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 16' ' ' TYR . 6.1 mt -46.24 -50.1 16.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -108.39 82.08 1.52 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.647 0.736 . . . . 0.0 111.107 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 149.74 67.2 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.685 2.256 . . . . 0.0 112.369 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.517 HD21 ' N ' ' A' ' 26' ' ' VAL . 1.3 tm? -124.85 102.62 7.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.1 m -130.59 -31.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -82.7 -9.05 59.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.7 12.82 52.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.517 ' N ' HD21 ' A' ' 22' ' ' LEU . 11.3 t -147.12 107.42 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.133 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.506 ' CA ' HD23 ' A' ' 22' ' ' LEU . 73.6 mtt180 -75.93 115.02 15.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -147.73 143.74 27.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -67.39 171.14 6.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 t -103.75 166.32 10.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.467 ' HA ' HD12 ' A' ' 34' ' ' LEU . 3.5 tt0 -49.59 -52.77 27.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 mm -60.78 -44.76 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.165 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.701 ' O ' HD12 ' A' ' 37' ' ' LEU . 67.0 mt-30 -58.43 -34.59 70.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' LEU . 6.3 mt -77.24 -66.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t -44.43 -31.26 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -82.7 -29.27 29.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.701 HD12 ' O ' ' A' ' 33' ' ' GLN . 5.6 mt -73.81 -38.34 64.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -45.19 -51.71 10.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.12 -53.25 6.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.658 HD11 HD11 ' A' ' 61' ' ' LEU . 11.4 mt -59.56 -30.3 68.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.95 23.78 11.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.476 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.481 ' O ' HG22 ' A' ' 42' ' ' ILE . 90.6 mt -94.11 86.07 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 111.162 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -79.95 44.99 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -119.04 103.67 9.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 57.6 m -77.06 -46.76 22.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -57.4 126.45 74.77 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.595 0.712 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -3.27 11.69 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.6 m -96.1 -44.35 7.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 34.3 p -53.38 -46.02 69.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.117 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.9 mp -48.55 134.33 15.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.499 ' O ' HG23 ' A' ' 55' ' ' VAL . 67.3 p -100.07 179.44 4.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -50.46 -45.24 55.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -60.42 -56.39 22.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -53.75 -43.12 68.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 51' ' ' THR . 96.2 t -64.11 -59.63 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.089 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -45.06 -44.5 10.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -63.8 -65.73 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -40.0 -49.3 2.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -49.53 -51.49 36.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' LEU . 65.7 mtp180 -34.71 -65.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.658 HD11 HD11 ' A' ' 40' ' ' LEU . 7.7 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -147.5 121.82 9.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.903 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -93.36 128.14 39.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.15 -131.75 1.41 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.2 p -46.06 154.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.866 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.9 p -84.16 99.67 10.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.43 -163.52 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' THR . 52.8 p -98.14 137.54 36.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.929 0.395 . . . . 0.0 110.856 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' SER . 10.5 t 34.87 40.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.091 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -91.05 86.65 6.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.7 m -124.34 -60.41 1.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.69 -47.49 13.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.802 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -41.96 -55.54 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.46 -53.37 30.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 16' ' ' TYR . 33.8 mt -55.73 -50.29 70.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.554 ' CD1' HG13 ' A' ' 55' ' ' VAL . 7.4 t80 -37.11 -47.76 0.77 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -55.44 -58.04 9.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -48.94 -51.85 27.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.727 HD13 ' CE2' ' A' ' 58' ' ' PHE . 18.0 mt -53.95 -56.78 14.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.492 HG21 ' CE1' ' A' ' 29' ' ' PHE . 20.6 t -109.48 81.17 1.72 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 175.39 8.16 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.524 HD11 ' N ' ' A' ' 26' ' ' VAL . 8.1 tp -127.35 97.87 5.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.7 m -122.39 -31.54 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -93.04 11.71 26.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.4 13.34 79.97 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.524 ' N ' HD11 ' A' ' 22' ' ' LEU . 6.3 p -154.48 117.04 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.165 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -74.51 116.58 15.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.507 ' HG3' HG22 ' A' ' 26' ' ' VAL . 78.9 mt-10 -147.57 133.17 18.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.492 ' CE1' HG21 ' A' ' 20' ' ' VAL . 23.8 m-85 -56.35 178.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.5 m -126.43 161.04 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.466 ' HA ' HD12 ' A' ' 34' ' ' LEU . 13.8 pt-20 -50.62 -20.42 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.579 ' H ' HD12 ' A' ' 32' ' ' ILE . 4.6 mp -82.33 -56.01 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -56.49 -48.86 76.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' ARG . 4.8 mt -54.25 -66.47 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 t -38.36 -27.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' LEU . 56.6 mtm180 -86.99 -41.7 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 34' ' ' LEU . 19.1 mt -60.67 -44.81 96.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' CD ' ' O ' ' A' ' 34' ' ' LEU . 0.8 OUTLIER -46.52 -52.14 13.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -43.75 -44.44 6.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.2 mt -69.01 -31.77 70.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.21 19.21 9.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.469 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 58.5 mt -94.74 90.59 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -76.56 64.7 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.835 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -128.41 146.72 50.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.4 m -112.9 -47.16 3.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -84.89 143.33 40.09 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 -8.16 22.91 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.723 2.282 . . . . 0.0 112.329 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.9 m -74.75 -52.18 12.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.8 p -57.08 -31.59 65.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.157 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.96 147.21 15.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' GLU . 9.8 t -123.89 152.84 41.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 51' ' ' THR . 43.2 mt-10 -34.47 -43.1 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -59.84 -46.46 89.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 51' ' ' THR . 6.3 mm-40 -72.02 -43.21 65.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.554 HG13 ' CD1' ' A' ' 16' ' ' TYR . 84.2 t -55.56 -55.9 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -55.53 -34.12 64.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -70.86 -51.94 23.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.727 ' CE2' HD13 ' A' ' 19' ' ' LEU . 21.9 t80 -57.15 -29.77 63.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.46 -42.18 18.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -49.58 -56.52 9.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.826 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.479 ' C ' HD12 ' A' ' 61' ' ' LEU . 1.0 OUTLIER -50.27 -28.46 7.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -103.14 106.86 17.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.0 mt -118.66 113.41 41.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -81.42 143.92 52.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.883 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 -32.97 17.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.339 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.1 97.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.5 p -117.21 68.46 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.13 103.54 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 69' ' ' THR . 9.0 t -111.84 115.83 29.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.451 ' O ' ' C ' ' A' ' 71' ' ' GLN . 41.1 m95 -90.09 94.29 9.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 70' ' ' TRP . 3.8 mp0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 m -141.99 175.46 9.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.85 0.357 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -118.47 153.7 33.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.43 -159.13 15.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.511 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -94.32 109.93 21.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.911 0.386 . . . . 0.0 110.833 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.0 m -125.43 172.6 9.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.02 55.27 0.56 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.446 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.9 m -114.22 161.97 17.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.937 0.399 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.4 t -88.98 -20.45 24.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 55.2 45.16 26.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.7 m -129.22 -55.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.49 -42.78 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -65.86 -43.52 88.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.25 -59.62 4.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.19 -45.89 89.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -50.04 -59.38 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -45.17 -43.05 9.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -71.56 -39.28 70.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.616 HD13 ' CE2' ' A' ' 58' ' ' PHE . 68.7 mt -62.45 -44.36 96.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.573 HG21 ' CE1' ' A' ' 29' ' ' PHE . 58.4 t -122.34 80.61 45.47 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.647 0.737 . . . . 0.0 111.125 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 152.22 69.75 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.525 HD12 ' N ' ' A' ' 26' ' ' VAL . 6.5 tp -87.22 58.86 5.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.7 m -66.98 146.7 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 51.21 29.53 4.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.02 32.15 79.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.525 ' N ' HD12 ' A' ' 22' ' ' LEU . 2.7 p -158.0 113.5 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -79.53 145.18 33.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -171.77 141.16 1.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CE1' HG21 ' A' ' 20' ' ' VAL . 20.6 m-85 -65.28 157.55 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.474 ' N ' ' OE1' ' A' ' 33' ' ' GLN . 13.8 t -101.42 154.34 18.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.851 ' HA ' HD12 ' A' ' 34' ' ' LEU . 7.5 pt-20 -38.32 -39.73 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.4 mt -71.16 -55.05 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.474 ' OE1' ' N ' ' A' ' 30' ' ' SER . 34.6 mt-30 -50.32 -44.12 54.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' A' ' 31' ' ' GLU . 4.8 mt -57.29 -64.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 t -43.13 -27.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.7 mtt-85 -84.96 -35.66 21.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' LEU . 29.8 mt -66.24 -38.27 87.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -66.63 -43.54 84.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -53.97 -46.46 71.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.7 mt -62.68 -32.1 73.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.57 23.54 7.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.455 ' CG2' ' HD2' ' A' ' 44' ' ' LYS . 87.2 mt -80.09 -49.55 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 0.0 111.108 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.3 m80 62.98 49.98 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.455 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 16.8 mttp -130.41 146.66 52.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -109.25 -39.94 5.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -88.37 141.32 30.59 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.583 0.706 . . . . 0.0 110.849 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -4.59 14.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.33 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -85.75 -36.99 19.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.902 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.427 ' C ' ' HD3' ' A' ' 44' ' ' LYS . 21.7 p -63.42 -38.8 92.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -45.17 153.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.743 ' O ' HG23 ' A' ' 55' ' ' VAL . 72.1 p -118.59 -178.35 3.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -62.4 -39.25 92.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -69.82 -53.49 17.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -60.49 -34.03 73.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 51' ' ' THR . 20.4 t -63.77 -51.46 69.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.8 mtp85 -59.85 -34.96 73.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -72.26 -55.29 7.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.616 ' CE2' HD13 ' A' ' 19' ' ' LEU . 45.0 t80 -51.72 -51.49 55.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.462 ' HA ' HD11 ' A' ' 19' ' ' LEU . . . -60.58 -54.51 44.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 59' ' ' ALA . 36.9 mtp180 -34.75 -50.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 60' ' ' ARG . 32.9 mt -35.73 -50.31 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -95.3 107.28 19.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.8 mt -109.24 112.35 40.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.25 143.93 32.23 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.612 0.72 . . . . 0.0 110.853 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.422 ' HA ' ' CG1' ' A' ' 68' ' ' ILE . 53.8 Cg_endo -69.76 -28.02 25.75 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.649 2.233 . . . . 0.0 112.359 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.87 -38.26 90.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 51.6 p -117.04 68.39 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.422 ' CG1' ' HA ' ' A' ' 65' ' ' PRO . 19.3 mm -93.06 101.36 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.172 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.1 m -95.31 83.97 3.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -54.06 97.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.3 p -43.42 163.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.6 m -109.15 -51.06 2.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.74 98.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 m -102.35 40.66 1.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.825 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.0 t -95.64 111.19 23.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.55 140.94 1.12 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -101.21 106.98 18.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.907 0.384 . . . . 0.0 110.896 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 10' ' ' GLN . 8.9 t -119.35 -42.8 2.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.453 ' N ' HG23 ' A' ' 9' ' ' THR . 10.2 pt20 -51.65 90.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 9' ' ' THR . 18.3 p -133.64 -66.93 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -100.24 -39.87 7.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -63.43 -34.42 77.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.2 -49.31 77.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 mp -71.82 -48.96 42.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.595 ' CD1' HG13 ' A' ' 55' ' ' VAL . 2.1 t80 -47.53 -53.88 13.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -50.36 -57.2 8.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -50.76 -52.36 41.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.0 mt -55.7 -52.91 62.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.5 t -110.9 81.31 2.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.58 0.705 . . . . 0.0 111.186 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 153.19 69.24 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.323 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.473 HD12 ' HE ' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -119.54 110.23 16.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.0 m -131.43 -36.57 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -85.72 21.38 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.431 ' C ' HD21 ' A' ' 22' ' ' LEU . . . 65.64 9.64 45.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.408 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.7 p -153.93 122.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.809 0.338 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.473 ' HE ' HD12 ' A' ' 22' ' ' LEU . 95.6 mtt180 -82.45 144.96 30.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -158.48 138.84 12.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -72.14 163.26 28.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.6 t -119.39 164.45 15.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.555 ' HA ' HD12 ' A' ' 34' ' ' LEU . 12.2 pt-20 -49.62 -33.45 15.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.6 mt -70.75 -54.31 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -58.29 -51.51 69.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 31' ' ' GLU . 5.0 mt -52.0 -66.66 0.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 t -38.5 -35.97 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.414 ' NH2' ' HB3' ' A' ' 61' ' ' LEU . 72.8 mtp180 -77.46 -39.64 45.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 34' ' ' LEU . 26.5 mt -64.79 -34.57 78.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -53.52 -50.06 66.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -47.6 -46.18 28.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.6 mt -63.86 -25.44 68.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.47 21.45 24.4 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 56.1 mt -97.38 97.69 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.379 . . . . 0.0 111.11 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -82.5 52.05 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.9 mttp -118.73 111.3 18.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -93.1 43.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.428 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 4.6 t70 -157.63 141.0 11.13 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.619 0.724 . . . . 0.0 110.838 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 46' ' ' ASP . 54.1 Cg_endo -69.77 -20.42 34.82 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.328 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.8 m -87.89 -41.66 13.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.1 p -57.34 -17.96 14.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 mp -85.95 147.51 26.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 54' ' ' GLU . 66.8 p -107.41 160.32 15.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -38.61 -51.55 1.64 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -54.9 -42.21 71.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 51' ' ' THR . 75.7 mt-10 -73.93 -29.86 62.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.595 HG13 ' CD1' ' A' ' 16' ' ' TYR . 89.0 t -69.97 -52.12 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -60.59 -37.43 81.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -60.67 -48.6 81.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -59.37 -43.5 92.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.9 95.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.12 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -38.45 -48.85 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.414 ' HB3' ' NH2' ' A' ' 36' ' ' ARG . 13.4 mt -39.83 -48.89 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -103.12 113.25 26.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.9 mt -108.55 87.99 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -63.43 144.01 97.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.65 0.738 . . . . 0.0 110.826 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -28.8 24.6 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.37 97.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.9 p -117.32 68.49 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.116 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 69' ' ' THR . 26.0 mt -83.31 151.79 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.401 ' N ' HG22 ' A' ' 68' ' ' ILE . 71.5 p -120.81 100.93 7.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -78.52 -40.07 36.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -81.68 42.15 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 110.859 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m 40.48 42.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.17 80.49 0.36 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m -75.98 84.54 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.4 m -101.08 135.57 42.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.39 112.81 4.73 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m -158.91 157.91 32.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.968 0.413 . . . . 0.0 110.85 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 9' ' ' THR . 14.8 t -82.49 40.54 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -98.8 44.02 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.1 m -79.35 -61.23 2.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.459 ' HA ' HD12 ' A' ' 15' ' ' LEU . 11.2 p-10 -75.79 -54.06 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -38.57 -56.73 1.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.96 -52.66 48.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.105 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 12' ' ' ASP . 27.0 mt -54.61 -43.44 72.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.514 ' CD1' HG13 ' A' ' 55' ' ' VAL . 15.7 t80 -60.9 -58.64 7.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -50.24 -47.48 55.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -61.31 -46.51 89.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.8 mt -59.91 -51.92 67.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.433 HG21 ' CE1' ' A' ' 29' ' ' PHE . 56.5 t -121.92 79.37 41.44 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.618 0.723 . . . . 0.0 111.089 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 154.8 67.54 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.7 2.267 . . . . 0.0 112.396 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.719 HD22 ' HG3' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -76.66 119.63 20.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.42 ' N ' HD13 ' A' ' 22' ' ' LEU . 12.0 m -131.49 133.41 61.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 54.97 37.11 28.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.62 34.86 71.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.1 p -166.93 141.01 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.799 0.333 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.719 ' HG3' HD22 ' A' ' 22' ' ' LEU . 65.3 mtm180 -113.79 142.85 45.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -150.69 127.94 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.433 ' CE1' HG21 ' A' ' 20' ' ' VAL . 23.2 m-85 -57.53 162.48 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.3 m -105.01 163.62 12.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' A' ' 34' ' ' LEU . 8.6 pt-20 -52.86 -37.63 60.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.3 mt -73.12 -42.08 58.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -63.54 -36.02 82.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 31' ' ' GLU . 5.3 mt -72.61 -65.31 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 t -42.07 -36.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.407 ' HD3' HD13 ' A' ' 61' ' ' LEU . 2.3 ptp180 -79.27 -30.27 42.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.497 HD21 ' CD1' ' A' ' 58' ' ' PHE . 12.0 mt -69.12 -41.36 77.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -43.07 -48.27 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.23 -51.9 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.545 HD11 HD11 ' A' ' 61' ' ' LEU . 17.6 mt -60.69 -32.04 71.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.7 25.2 8.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 97.7 mt -95.99 93.1 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 111.177 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -80.67 44.45 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -111.7 145.55 39.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.6 p -109.13 -44.84 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.431 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 9.2 t70 -75.49 140.12 71.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.603 0.716 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.471 ' HG3' ' CB ' ' A' ' 27' ' ' ARG . 53.7 Cg_endo -69.79 -11.0 29.9 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -86.76 -42.26 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.4 p -51.92 -44.51 63.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mp -56.27 141.82 39.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -105.1 159.27 15.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -40.79 -48.53 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -51.07 -37.98 48.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -84.22 -35.03 23.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.514 HG13 ' CD1' ' A' ' 16' ' ' TYR . 73.6 t -59.09 -47.21 90.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -62.23 -42.86 99.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -66.23 -59.14 4.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.549 ' O ' HD12 ' A' ' 61' ' ' LEU . 38.9 t80 -46.71 -52.87 12.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.13 -49.35 76.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 -38.65 -37.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 58' ' ' PHE . 16.7 mt -48.02 -61.48 1.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -66.93 102.43 0.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.1 mt -115.23 117.99 57.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.572 ' O ' HG22 ' A' ' 67' ' ' THR . 57.7 m-20 -104.97 145.2 30.27 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.556 0.693 . . . . 0.0 110.925 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.471 ' HA ' ' CG1' ' A' ' 68' ' ' ILE . 53.7 Cg_endo -69.78 -38.0 8.36 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -41.94 -51.37 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 64' ' ' ASP . 4.7 t -64.84 -33.71 76.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.556 HG23 ' CD1' ' A' ' 70' ' ' TRP . 38.7 mm -53.94 104.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.551 ' O ' HG22 ' A' ' 69' ' ' THR . 19.4 m -134.64 41.34 2.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.556 ' CD1' HG23 ' A' ' 68' ' ' ILE . 59.4 p-90 -100.44 -37.7 8.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.429 ' HA ' ' CE3' ' A' ' 70' ' ' TRP . 13.7 pt20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -79.8 -53.09 7.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t 52.81 42.49 31.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.39 107.23 2.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 t -83.18 -47.03 12.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.1 p -151.19 153.36 34.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.39 61.32 0.44 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -110.85 110.65 21.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.899 0.38 . . . . 0.0 110.887 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 t -118.7 175.79 5.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.176 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 52.84 30.28 8.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.3 m -41.25 -50.25 3.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -101.14 -34.42 9.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -56.76 -27.31 59.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.491 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . -65.94 -41.9 90.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.067 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.629 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -47.41 -38.07 12.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.579 ' CE1' HG13 ' A' ' 55' ' ' VAL . 2.7 m-85 -61.37 -61.97 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -37.96 -32.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.908 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 16' ' ' TYR . 58.3 mtt180 -89.18 -44.83 10.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.5 mt -60.17 -58.82 6.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 20' ' ' VAL . 7.1 p -109.8 79.03 1.34 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.658 0.742 . . . . 0.0 111.158 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 175.03 8.66 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.32 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.751 HD11 ' N ' ' A' ' 26' ' ' VAL . 11.2 tp -123.14 103.5 8.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.9 m -116.28 -29.42 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -96.63 -31.99 12.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.16 17.65 2.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.751 ' N ' HD11 ' A' ' 22' ' ' LEU . 6.2 p -155.75 122.04 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.342 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.458 ' HG3' HD13 ' A' ' 22' ' ' LEU . 34.1 mtt180 -79.55 81.17 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -110.49 141.92 42.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -66.25 -178.66 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.483 ' N ' ' OE1' ' A' ' 33' ' ' GLN . 2.9 m -135.93 159.68 40.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.526 ' HA ' HD12 ' A' ' 34' ' ' LEU . 7.0 pt-20 -39.04 -39.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.3 mt -63.21 -55.84 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.483 ' OE1' ' N ' ' A' ' 30' ' ' SER . 46.3 mt-30 -57.82 -52.75 64.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 31' ' ' GLU . 4.8 mt -51.98 -67.46 0.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' LEU . 2.8 t -36.82 -29.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 34' ' ' LEU . 74.2 mtt180 -85.69 -46.82 10.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' LEU . 15.3 mt -57.82 -35.05 70.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -60.58 -49.98 75.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -46.82 -51.66 16.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.4 mt -59.12 -33.3 70.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.74 23.42 6.84 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.414 HG22 ' HB2' ' A' ' 44' ' ' LYS . 58.0 mt -97.93 100.86 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.837 0.351 . . . . 0.0 111.149 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -80.49 50.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.414 ' HB2' HG22 ' A' ' 42' ' ' ILE . 25.7 mttp -120.58 131.24 54.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.5 p -112.52 33.92 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -151.83 138.79 12.17 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.6 0.714 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 0.17 6.04 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.26 . . . . 0.0 112.312 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.1 m -103.95 -41.93 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.408 ' C ' ' HD3' ' A' ' 44' ' ' LYS . 75.6 p -60.25 -23.54 64.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.123 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.523 HD22 ' OH ' ' A' ' 16' ' ' TYR . 5.0 mp -74.67 133.73 42.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 52' ' ' GLU . 14.7 t -92.34 155.46 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' THR . 31.8 mt-10 -34.28 -51.81 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -49.43 -47.91 47.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.812 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 51' ' ' THR . 0.3 OUTLIER -72.72 -37.6 67.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.579 HG13 ' CE1' ' A' ' 16' ' ' TYR . 87.4 t -56.33 -51.41 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.447 ' O ' ' CG ' ' A' ' 60' ' ' ARG . 87.1 mtt180 -55.56 -46.47 77.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -64.83 -61.86 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -47.89 -51.42 23.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.629 ' HB1' ' CB ' ' A' ' 15' ' ' LEU . . . -62.81 -45.83 90.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.12 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 8.8 mmt85 -44.45 -39.93 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.822 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.7 mt -43.11 -53.45 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.405 ' O ' HD12 ' A' ' 15' ' ' LEU . 14.1 t-20 -118.02 113.15 21.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 72.7 mt -116.87 123.05 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -71.29 154.5 93.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.615 0.721 . . . . 0.0 110.855 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -14.87 36.75 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.67 2.246 . . . . 0.0 112.329 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.93 -21.24 34.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.3 p -91.02 13.6 16.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.425 HG23 ' NE1' ' A' ' 70' ' ' TRP . 30.1 mm -83.0 76.95 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.9 m -100.98 39.39 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.425 ' NE1' HG23 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -134.27 82.41 1.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.422 ' CD ' ' C ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -142.87 128.62 19.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -164.67 164.12 21.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.84 168.4 27.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 m -121.95 152.51 39.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.841 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.8 p -169.93 175.42 5.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.814 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.98 106.14 0.37 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t -117.02 157.07 26.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.972 0.415 . . . . 0.0 110.817 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.9 t -81.53 -23.84 37.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.126 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -97.94 32.22 2.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.948 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.6 m -41.0 -60.68 1.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.08 -35.28 15.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -52.93 -30.73 36.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.14 -35.87 81.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 18' ' ' ARG . 9.7 mt -77.0 -56.9 4.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.567 ' CG ' HG13 ' A' ' 55' ' ' VAL . 8.6 t80 -36.04 -48.77 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -60.54 -41.47 94.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' LEU . 24.0 ttm180 -75.1 -23.45 57.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.483 ' O ' ' NE2' ' A' ' 33' ' ' GLN . 14.6 mt -77.41 -38.38 49.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.443 HG21 ' CE2' ' A' ' 29' ' ' PHE . 35.4 t -131.71 76.77 73.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.604 0.716 . . . . 0.0 111.122 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 167.64 23.84 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.709 2.272 . . . . 0.0 112.323 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.68 HD21 ' N ' ' A' ' 26' ' ' VAL . 1.7 tt -130.73 100.99 5.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 24' ' ' ASN . 35.9 m -120.92 -40.74 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.431 ' N ' HG23 ' A' ' 23' ' ' VAL . 7.2 t-20 -70.19 -0.29 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.678 ' C ' HD21 ' A' ' 22' ' ' LEU . . . 90.47 7.21 67.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.68 ' N ' HD21 ' A' ' 22' ' ' LEU . 4.3 p -156.97 115.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 111.139 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.491 ' HG3' HD12 ' A' ' 22' ' ' LEU . 19.4 mtp180 -66.08 145.22 56.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -174.87 130.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.443 ' CE2' HG21 ' A' ' 20' ' ' VAL . 66.5 m-85 -62.64 177.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.8 t -116.55 159.45 22.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.811 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.888 ' HA ' HD12 ' A' ' 34' ' ' LEU . 7.0 pt-20 -50.55 -18.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.7 mm -87.17 -53.67 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 19' ' ' LEU . 79.7 mt-30 -55.55 -46.77 77.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.888 HD12 ' HA ' ' A' ' 31' ' ' GLU . 4.5 mt -47.56 -65.76 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' LEU . 3.5 t -37.56 -30.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' LEU . 17.3 mmm-85 -79.52 -43.4 23.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' LEU . 31.4 mt -64.11 -35.48 80.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -71.75 -45.42 61.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -51.09 -46.4 61.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -63.16 -32.44 73.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.969 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.68 14.45 7.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.523 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.462 ' CD1' ' HG2' ' A' ' 54' ' ' GLU . 93.8 mt -92.41 109.58 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.366 . . . . 0.0 111.182 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -87.92 50.39 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.419 ' HD3' HD22 ' A' ' 50' ' ' LEU . 24.7 mttt -121.11 140.82 51.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.4 p -114.52 -22.71 9.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.685 ' O ' HD23 ' A' ' 50' ' ' LEU . 14.0 m-20 -101.2 139.66 20.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.563 0.697 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -24.01 30.13 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.9 m -72.24 -26.87 62.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.8 p -90.13 18.84 5.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.699 HD13 ' OE1' ' A' ' 54' ' ' GLU . 1.4 mm? -99.42 149.25 23.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -117.49 150.6 38.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' THR . 17.0 mt-10 -36.27 -48.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -50.56 -46.31 57.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.699 ' OE1' HD13 ' A' ' 50' ' ' LEU . 53.0 mt-10 -76.1 -54.16 7.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.567 HG13 ' CG ' ' A' ' 16' ' ' TYR . 88.6 t -42.73 -46.2 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -69.92 -34.11 73.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -68.6 -58.76 3.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.646 ' O ' HD12 ' A' ' 61' ' ' LEU . 17.8 t80 -44.08 -41.19 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -74.98 -46.97 31.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.08 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 61' ' ' LEU . 22.3 mmt-85 -36.56 -44.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.646 HD12 ' O ' ' A' ' 58' ' ' PHE . 19.9 mt -35.73 -56.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -109.88 116.82 32.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.4 mt -111.02 119.77 60.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -43.85 149.17 0.67 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.57 0.7 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -33.59 16.27 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.72 2.28 . . . . 0.0 112.317 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.42 -47.51 85.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 68' ' ' ILE . 40.7 p -53.63 -45.54 70.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 67' ' ' THR . 26.0 mm -34.45 123.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.5 m -153.58 128.73 9.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 21.6 m95 -127.3 110.45 12.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.942 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -125.29 173.02 9.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.912 0.387 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -135.02 160.55 37.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.91 -81.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 m -106.71 151.85 24.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.37 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -132.69 171.55 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.79 53.18 2.13 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.0 m -133.41 161.86 33.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.948 0.404 . . . . 0.0 110.87 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 9' ' ' THR . 14.0 t -88.47 36.11 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.1 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -103.2 43.77 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.4 m -100.8 -65.31 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.432 ' OD2' ' NH1' ' A' ' 56' ' ' ARG . 12.4 m-20 -71.71 -47.89 50.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -47.62 -55.58 9.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -38.76 -59.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.149 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 16' ' ' TYR . 6.8 mp -46.55 -55.04 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.655 ' CD1' HG13 ' A' ' 55' ' ' VAL . 18.6 t80 -35.43 -60.43 0.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -48.6 -45.37 38.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -61.21 -47.61 85.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.562 HD21 ' ND2' ' A' ' 62' ' ' ASN . 21.2 mt -58.06 -47.71 82.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.517 HG22 HE22 ' A' ' 33' ' ' GLN . 9.7 t -119.67 80.1 23.42 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.599 0.714 . . . . 0.0 111.122 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 161.52 45.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.24 . . . . 0.0 112.321 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.456 HD12 ' NE ' ' A' ' 27' ' ' ARG . 1.4 tt -111.37 121.58 45.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.546 HG23 ' H ' ' A' ' 24' ' ' ASN . 7.7 m -135.05 -54.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.094 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.546 ' H ' HG23 ' A' ' 23' ' ' VAL . 89.0 m-20 -83.53 35.09 0.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.402 ' HA2' HD21 ' A' ' 22' ' ' LEU . . . 53.55 13.66 3.06 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.9 t -151.48 117.57 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 111.16 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.456 ' NE ' HD12 ' A' ' 22' ' ' LEU . 54.3 mtt180 -84.42 123.8 30.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -138.5 139.77 38.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -65.06 -179.15 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 32' ' ' ILE . 13.4 t -130.55 146.08 52.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' SER . 3.7 pt-20 -35.9 -32.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 30' ' ' SER . 49.9 mt -72.29 -58.31 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.517 HE22 HG22 ' A' ' 20' ' ' VAL . 84.8 mt-30 -52.97 -57.68 9.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' LEU . 5.6 mt -45.59 -68.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.7 t -38.31 -34.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -79.86 -43.61 21.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' LEU . 24.1 mt -53.67 -39.02 64.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -61.55 -31.66 71.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -47.72 82.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.814 HD11 HD23 ' A' ' 61' ' ' LEU . 71.8 mt -66.26 -28.5 68.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.04 18.75 8.54 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.45 HG23 ' OE2' ' A' ' 54' ' ' GLU . 60.1 mt -92.58 116.8 34.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.896 0.379 . . . . 0.0 111.127 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -98.74 46.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.409 ' H ' HG22 ' A' ' 42' ' ' ILE . 71.3 mttt -117.17 139.87 50.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.1 m -107.81 -37.37 6.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -84.96 141.37 37.76 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.577 0.703 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -21.29 33.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.378 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 84.7 p -77.85 -26.66 49.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.5 p -71.06 -36.23 72.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -45.63 151.65 0.39 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 52' ' ' GLU . 9.0 t -126.11 149.24 49.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' THR . 10.6 pt-20 -34.48 -43.3 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -55.88 -52.82 62.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.45 ' OE2' HG23 ' A' ' 42' ' ' ILE . 65.7 mt-10 -71.1 -48.04 54.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.655 HG13 ' CD1' ' A' ' 16' ' ' TYR . 96.9 t -43.44 -44.79 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.432 ' NH1' ' OD2' ' A' ' 12' ' ' ASP . 80.9 mtt-85 -60.45 -44.16 96.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -65.76 -55.19 18.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.541 ' CD2' HD13 ' A' ' 19' ' ' LEU . 29.3 t80 -38.69 -38.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -81.14 -49.65 10.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.066 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' ALA . 2.1 mmp_? -37.11 -62.14 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.814 HD23 HD11 ' A' ' 40' ' ' LEU . 3.1 pp -54.14 -39.07 66.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.562 ' ND2' HD21 ' A' ' 19' ' ' LEU . 28.5 t30 -78.04 101.31 6.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 78.4 mt -121.53 124.8 72.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -119.56 154.28 54.46 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.585 0.707 . . . . 0.0 110.876 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -39.73 6.21 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.708 2.272 . . . . 0.0 112.346 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -47.21 -55.49 8.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.3 p -50.35 -46.73 55.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.161 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.9 mm -43.78 134.47 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.9 m -127.87 85.21 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -60.39 -53.02 62.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.93 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -121.74 142.94 49.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 p -139.15 160.7 39.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -76.71 -65.58 1.96 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 4' ' ' GLY . 58.6 m -37.19 147.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.891 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 m -71.0 147.23 48.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.41 114.83 0.36 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.8 m -93.43 175.69 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.97 0.414 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.1 t -66.09 -39.13 89.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.104 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.536 ' HG3' ' HB2' ' A' ' 14' ' ' ALA . 6.9 tp60 -59.25 89.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.8 m -127.01 -51.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.35 -42.0 7.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -51.17 -41.22 60.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.536 ' HB2' ' HG3' ' A' ' 10' ' ' GLN . . . -64.52 -55.51 20.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.0 mt -46.84 -46.51 20.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -46.4 -49.72 17.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -48.48 -52.86 20.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.847 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -60.76 -50.55 73.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.5 mt -48.64 -44.07 37.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.5 t -111.9 80.84 3.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.699 0.761 . . . . 0.0 111.17 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 163.94 36.38 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.53 HD13 ' CG ' ' A' ' 27' ' ' ARG . 14.3 tp -122.09 94.44 4.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.457 HG23 ' N ' ' A' ' 24' ' ' ASN . 34.7 m -106.86 -42.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.758 ' O ' HG12 ' A' ' 26' ' ' VAL . 20.5 m120 -97.82 42.0 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 42.62 39.87 3.62 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.758 HG12 ' O ' ' A' ' 24' ' ' ASN . 7.6 p -166.78 123.74 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.53 ' CG ' HD13 ' A' ' 22' ' ' LEU . 99.7 mtt180 -80.97 118.55 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -152.49 153.59 33.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -83.8 178.59 7.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -127.62 163.64 23.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.542 ' HA ' HD12 ' A' ' 34' ' ' LEU . 7.3 pt-20 -46.44 -29.76 1.87 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.49 ' H ' HD12 ' A' ' 32' ' ' ILE . 5.3 mp -75.33 -61.66 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -48.44 -50.67 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' A' ' 31' ' ' GLU . 4.8 mt -53.2 -65.49 0.55 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 t -39.26 -36.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.483 ' HD3' HD12 ' A' ' 61' ' ' LEU . 18.0 mtt180 -78.74 -38.02 39.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 34' ' ' LEU . 13.9 mt -57.4 -44.72 84.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -60.99 -48.79 80.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -49.51 -50.11 43.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.923 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 mt -62.69 -30.94 71.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.95 21.99 5.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 37.7 mt -103.59 98.74 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 111.115 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -86.37 72.1 10.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.822 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -149.75 148.71 29.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.6 p -112.45 -44.31 3.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.35 135.68 96.36 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.71 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.66 -3.45 11.97 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.373 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.2 m -102.04 -40.26 6.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.7 p -48.81 -47.81 41.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.133 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 mp -49.17 123.58 7.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.0 p -94.23 174.83 6.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -41.25 -43.8 2.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -63.76 -50.49 68.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.1 -42.21 89.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.8 t -61.74 -62.37 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -43.73 -42.73 5.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -68.41 -39.0 81.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.521 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 36.5 t80 -85.53 21.52 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -116.05 -38.71 3.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.622 ' HA ' HD12 ' A' ' 63' ' ' ILE . 58.6 mtm180 -60.77 -57.94 10.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.521 HD23 ' H ' ' A' ' 62' ' ' ASN . 2.0 pt? -39.51 -35.21 0.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.521 ' H ' HD23 ' A' ' 61' ' ' LEU . 23.3 t30 -83.43 40.92 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 60' ' ' ARG . 78.4 mt -135.86 109.32 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -77.28 146.89 75.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.613 0.72 . . . . 0.0 110.832 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.771 ' HA ' HD13 ' A' ' 68' ' ' ILE . 53.7 Cg_endo -69.79 -19.57 35.82 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.718 2.279 . . . . 0.0 112.329 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.98 -48.02 72.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 54.1 p -44.85 -44.01 9.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.786 ' H ' HD12 ' A' ' 68' ' ' ILE . 4.9 mp -57.74 132.8 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.5 m -102.11 88.5 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.466 ' CE2' HG21 ' A' ' 68' ' ' ILE . 64.0 m95 -78.73 113.65 16.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 p -81.98 175.61 10.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.8 p -154.05 130.44 10.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.18 -127.46 1.2 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.464 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.3 m -72.61 159.5 33.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -129.46 153.76 47.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.04 -69.67 0.31 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.1 m -170.68 106.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.964 0.412 . . . . 0.0 110.871 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.504 HG23 ' N ' ' A' ' 10' ' ' GLN . 1.1 t -125.65 -174.82 3.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.182 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.517 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 32.9 mm-40 -47.56 116.35 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.925 ' O ' HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -80.0 -75.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.79 -53.65 7.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -54.58 -65.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 10' ' ' GLN . . . -57.46 -19.54 24.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.072 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.925 HD23 ' O ' ' A' ' 11' ' ' THR . 2.9 mm? -79.26 -36.53 39.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -71.9 -50.01 32.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -40.15 -45.15 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.7 mtp85 -75.22 -52.42 10.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.446 HD13 ' CD2' ' A' ' 58' ' ' PHE . 14.5 mt -40.51 -43.65 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.3 t -109.68 81.45 1.93 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -177.07 1.69 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.339 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.733 HD13 ' HG3' ' A' ' 27' ' ' ARG . 13.7 tp -137.29 117.46 13.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 24' ' ' ASN . 33.9 m -124.8 -45.94 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.565 ' O ' HG12 ' A' ' 26' ' ' VAL . 36.5 t-20 -95.04 41.89 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 47.07 25.34 2.5 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.567 ' N ' HD11 ' A' ' 22' ' ' LEU . 13.9 p -158.98 123.29 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.85 0.357 . . . . 0.0 111.096 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.733 ' HG3' HD13 ' A' ' 22' ' ' LEU . 52.5 mtt180 -74.44 130.42 39.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.38 163.13 40.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.487 ' CE2' HD13 ' A' ' 50' ' ' LEU . 34.8 m-85 -96.92 162.78 13.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.7 p -109.52 165.8 11.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.515 ' HA ' HD12 ' A' ' 34' ' ' LEU . 16.8 pt-20 -50.01 -30.88 11.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.504 ' H ' HD12 ' A' ' 32' ' ' ILE . 5.3 mp -71.77 -59.11 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -49.26 -50.4 39.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.583 HD22 HG22 ' A' ' 45' ' ' THR . 5.1 mt -56.35 -66.09 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -39.14 -26.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 34' ' ' LEU . 76.4 mtt180 -87.57 -39.75 14.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.575 HD22 HD12 ' A' ' 42' ' ' ILE . 82.8 mt -62.59 -32.22 73.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -65.13 -41.65 94.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -53.79 -50.31 66.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.47 HD11 HD11 ' A' ' 61' ' ' LEU . 15.8 mt -62.03 -32.06 72.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.79 25.63 7.96 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.575 HD12 HD22 ' A' ' 37' ' ' LEU . 47.0 mt -77.9 -46.51 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 62.53 38.72 12.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.443 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 43.2 mttm -117.76 131.48 56.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.583 HG22 HD22 ' A' ' 34' ' ' LEU . 73.4 p -119.98 36.1 4.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -148.65 139.78 13.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -4.54 14.2 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.732 2.288 . . . . 0.0 112.372 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.1 t -99.7 -42.08 7.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.3 p -57.71 -41.55 81.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.139 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.487 HD13 ' CE2' ' A' ' 29' ' ' PHE . 3.9 mp -60.76 118.24 6.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 52' ' ' GLU . 43.2 p -96.92 162.61 13.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 51' ' ' THR . 44.2 mt-10 -34.4 -45.58 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.63 -53.22 60.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.75 -37.44 81.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.0 t -65.16 -61.41 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 5.9 ptp180 -45.84 -37.07 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 4.9 mtmp? -73.33 -36.73 66.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.446 ' CD2' HD13 ' A' ' 19' ' ' LEU . 42.8 t80 -65.18 -51.57 60.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -57.5 -45.76 84.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 59' ' ' ALA . 11.2 mmm180 -36.34 -48.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.47 HD11 HD11 ' A' ' 40' ' ' LEU . 4.1 mp -38.26 -50.87 1.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -116.96 107.34 14.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.0 mt -101.41 94.41 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -55.33 145.48 46.99 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.615 0.722 . . . . 0.0 110.846 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.07 20.12 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.6 -15.39 61.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.0 p -96.0 9.72 39.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 28.7 mm -101.92 90.33 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.8 t -125.74 22.41 7.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.169 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.585 ' CE3' ' O ' ' A' ' 70' ' ' TRP . 51.6 p-90 -105.57 87.33 2.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.969 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.5 p -136.22 176.65 8.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.931 0.396 . . . . 0.0 110.835 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 m -139.94 143.15 36.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.819 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.46 177.5 48.45 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -167.2 152.19 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 7' ' ' GLY . 60.6 m -159.9 147.33 16.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.89 71.25 0.15 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.527 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.7 p -104.69 130.23 52.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.845 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.3 t -120.05 -37.71 3.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -70.76 75.77 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.5 m -65.08 -61.83 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -85.52 -40.48 16.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -47.43 -50.4 22.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.29 -65.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.41 HD22 ' OD1' ' A' ' 64' ' ' ASP . 40.1 mt -39.32 -42.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -45.48 -60.12 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -51.02 -41.78 60.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -63.97 -42.36 97.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.3 mt -62.56 -49.72 74.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.542 HG11 ' O ' ' A' ' 27' ' ' ARG . 90.6 t -107.58 78.41 0.69 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.636 0.731 . . . . 0.0 111.13 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 172.63 12.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.723 2.282 . . . . 0.0 112.306 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.604 HD13 ' HG3' ' A' ' 27' ' ' ARG . 12.6 tp -130.95 94.03 3.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.522 HG23 ' N ' ' A' ' 24' ' ' ASN . 35.1 m -109.57 -46.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.143 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.522 ' N ' HG23 ' A' ' 23' ' ' VAL . 51.4 m-20 -79.57 -32.35 42.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.53 20.16 1.98 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.465 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.45 ' CG1' ' HG3' ' A' ' 28' ' ' GLU . 42.4 t -147.03 124.46 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 111.115 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.604 ' HG3' HD13 ' A' ' 22' ' ' LEU . 45.3 mtt180 -83.05 37.53 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.45 ' HG3' ' CG1' ' A' ' 26' ' ' VAL . 12.0 mt-10 -86.03 129.53 34.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -49.72 176.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 t -117.12 157.42 25.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.723 ' HA ' HD12 ' A' ' 34' ' ' LEU . 7.6 pt-20 -43.42 -36.0 1.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.499 ' H ' HD12 ' A' ' 32' ' ' ILE . 5.2 mp -69.58 -48.78 63.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -61.11 -40.77 95.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 31' ' ' GLU . 3.8 mt -66.13 -60.8 2.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -43.51 -39.78 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -79.68 -24.68 41.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.492 HD23 HD12 ' A' ' 42' ' ' ILE . 3.6 mt -72.01 -42.22 66.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -43.92 -50.15 8.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -43.71 -51.61 7.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.599 HD11 HD21 ' A' ' 61' ' ' LEU . 19.3 mt -61.8 -32.07 72.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.29 22.07 8.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.492 HD12 HD23 ' A' ' 37' ' ' LEU . 80.6 mt -92.26 89.94 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.883 0.373 . . . . 0.0 111.08 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -79.54 45.86 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -115.25 155.41 27.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.6 p -124.16 -34.58 2.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -83.09 137.39 43.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.713 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 1.97 3.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.7 m -98.27 -44.25 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.1 p -53.8 -38.69 64.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mp -58.72 129.75 43.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 52' ' ' GLU . 15.1 t -100.3 162.92 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' THR . 12.9 pt-20 -36.04 -45.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -56.44 -63.05 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -38.45 69.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.68 -59.7 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 11.2 ptp180 -55.34 -37.55 67.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 22.9 mtpp -67.21 -51.67 50.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -52.13 -38.38 57.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.75 96.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 61' ' ' LEU . 31.3 mtp180 -43.75 -48.16 8.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.599 HD21 HD11 ' A' ' 40' ' ' LEU . 4.3 mm? -36.48 -61.91 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -108.56 114.46 28.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.1 mt -107.47 120.42 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.54 ' O ' HG22 ' A' ' 67' ' ' THR . 4.6 m-20 -81.11 147.61 61.63 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.63 0.729 . . . . 0.0 110.87 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -29.86 23.48 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.265 . . . . 0.0 112.328 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -47.56 -56.79 6.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.089 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 64' ' ' ASP . 14.5 t -58.73 -16.53 17.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.1 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 68' ' ' ILE . 4.7 mm -86.71 1.52 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.461 ' O ' HG22 ' A' ' 69' ' ' THR . 4.7 m 74.47 24.96 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.1 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.44 ' CD1' ' HB ' ' A' ' 68' ' ' ILE . 11.0 m0 -84.12 99.06 10.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 m -159.23 166.6 31.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.874 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -114.99 123.28 48.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.22 -81.08 0.28 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m 37.44 47.4 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.868 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.9 m -117.48 -51.35 2.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.29 44.66 1.19 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.518 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.9 p -99.46 179.71 4.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.0 0.429 . . . . 0.0 110.837 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 t -125.34 -23.73 4.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -46.45 -30.78 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 p -66.05 -73.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.739 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -52.28 -34.09 44.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.469 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 22.4 tttp -65.19 -58.39 6.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.04 -35.27 33.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.739 HD12 ' HA ' ' A' ' 12' ' ' ASP . 5.3 mt -73.98 -27.23 60.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.468 ' CD1' HG13 ' A' ' 55' ' ' VAL . 2.7 t80 -75.31 -36.74 61.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 13' ' ' LYS . 41.9 m-80 -67.15 -51.72 50.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.472 ' CG ' ' N ' ' A' ' 19' ' ' LEU . 21.6 ptt85 -59.75 -46.4 89.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.595 HD12 ' O ' ' A' ' 15' ' ' LEU . 25.0 mt -58.61 -40.84 84.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.2 t -117.16 81.23 12.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.642 0.734 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 178.15 4.86 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.714 2.276 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.46 HD11 ' N ' ' A' ' 26' ' ' VAL . 8.8 tp -127.35 111.4 13.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.4 m -127.76 -43.4 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -83.44 6.79 18.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.64 0.88 90.38 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.512 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.46 ' N ' HD11 ' A' ' 22' ' ' LEU . 4.9 p -148.09 117.09 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -57.33 127.25 31.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -151.11 133.89 15.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -67.01 172.97 3.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.0 t -127.19 166.86 16.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -48.1 -26.31 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.509 ' H ' HD12 ' A' ' 32' ' ' ILE . 5.4 mp -75.25 -61.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -51.66 -51.68 53.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' LEU . 4.8 mt -54.18 -67.13 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' LEU . 4.1 t -37.35 -32.37 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 34' ' ' LEU . 30.8 mtt-85 -80.87 -45.12 17.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 34' ' ' LEU . 18.6 mt -59.71 -38.33 81.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -47.26 -46.42 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.929 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.94 -50.82 63.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.92 -29.01 68.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.929 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.89 22.87 14.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.484 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.454 HG23 ' HD2' ' A' ' 44' ' ' LYS . 33.7 mt -96.07 102.16 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 0.0 111.138 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -86.62 51.01 2.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.454 ' HD2' HG23 ' A' ' 42' ' ' ILE . 29.9 mttm -115.68 107.18 14.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.632 ' O ' HG22 ' A' ' 45' ' ' THR . 24.8 m -89.68 35.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.416 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 1.7 t70 -154.82 141.04 12.96 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.621 0.724 . . . . 0.0 110.872 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 46' ' ' ASP . 53.6 Cg_endo -69.8 -27.13 26.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.619 2.213 . . . . 0.0 112.338 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.1 m -68.18 -49.8 58.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.4 p -54.26 -53.41 54.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.096 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 mp -43.45 125.67 4.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 52' ' ' GLU . 25.9 p -99.08 162.53 13.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 51' ' ' THR . 12.3 mt-10 -34.49 -46.17 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -57.73 -52.41 65.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.43 -36.3 83.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.468 HG13 ' CD1' ' A' ' 16' ' ' TYR . 84.3 t -64.12 -58.07 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.1 ptm85 -58.85 -42.36 89.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -58.87 -38.47 78.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.44 ' CE2' HD13 ' A' ' 19' ' ' LEU . 50.3 t80 -71.88 -47.37 53.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.52 -34.53 36.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.8 mtp85 -59.24 -43.06 92.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.2 mt -54.65 -16.18 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -92.82 40.41 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.3 mt -129.2 88.66 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -41.63 144.96 0.71 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.616 0.722 . . . . 0.0 110.846 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -21.03 34.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.79 -53.59 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 61.5 p -50.42 -51.23 48.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.4 mm -38.3 119.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 t -140.99 121.25 13.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' GLN . 35.9 m95 -103.52 106.57 17.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' TRP . 5.1 pp0? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 p -131.93 146.94 52.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.865 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -60.04 125.89 25.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.02 -43.04 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.428 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -42.63 -57.13 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -162.48 174.16 13.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.99 49.27 63.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.4 t -117.18 102.04 8.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.937 0.399 . . . . 0.0 110.82 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 9' ' ' THR . 13.9 t -87.92 36.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -103.45 43.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 p -82.24 -64.97 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.083 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -91.81 -35.54 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -57.57 -38.69 75.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.57 -56.54 20.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' TYR . 7.2 mp -59.47 -53.64 55.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.756 ' CD1' HG13 ' A' ' 55' ' ' VAL . 3.8 t80 -35.15 -48.44 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -52.4 -56.4 15.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -54.77 -49.86 69.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.27 -46.45 72.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 63.8 t -110.36 79.64 1.72 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.738 . . . . 0.0 111.171 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 158.59 56.41 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.306 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.41 ' HG ' ' CG ' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -118.56 106.97 13.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 m -129.8 -39.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -85.73 24.06 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.69 13.63 46.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.458 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.2 p -152.78 128.76 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.179 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.41 ' CG ' ' HG ' ' A' ' 22' ' ' LEU . 86.2 mtt180 -92.09 99.66 12.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -133.3 133.97 43.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -52.33 -179.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.4 t -132.35 158.57 41.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.559 ' HA ' HD12 ' A' ' 34' ' ' LEU . 7.9 pt-20 -45.46 -34.73 3.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.9 mm -70.35 -59.32 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.121 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -50.3 -59.57 3.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.705 ' CD2' HG22 ' A' ' 45' ' ' THR . 5.4 mt -40.85 -67.12 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 t -38.6 -35.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.4 mtm180 -79.32 -41.04 28.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 34' ' ' LEU . 22.7 mt -57.73 -46.78 83.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.02 -54.93 9.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -43.68 -50.1 7.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.6 mt -57.93 -31.12 66.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.6 23.68 11.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.658 HG22 ' HB2' ' A' ' 44' ' ' LYS . 43.5 mt -77.17 -53.61 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 0.0 111.137 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 62.46 43.08 8.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.658 ' HB2' HG22 ' A' ' 42' ' ' ILE . 33.9 mtmt -135.31 132.08 37.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.705 HG22 ' CD2' ' A' ' 34' ' ' LEU . 77.6 p -115.22 49.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -155.43 130.21 5.04 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 0.85 5.05 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.356 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -103.83 -39.36 6.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.1 p -67.5 -45.32 76.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -51.47 123.18 9.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.9 p -90.66 166.58 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -40.73 -50.57 3.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -53.85 -45.6 70.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.448 ' OE2' HG23 ' A' ' 42' ' ' ILE . 4.8 mm-40 -63.5 -50.61 68.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.756 HG13 ' CD1' ' A' ' 16' ' ' TYR . 86.8 t -54.14 -58.28 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 11.5 ptm180 -49.49 -36.37 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 18.5 mtpp -71.77 -40.34 69.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.49 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 79.0 t80 -83.53 20.53 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.58 -31.12 5.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -91.82 -37.59 12.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.823 ' C ' HD22 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -50.0 -18.04 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.766 ' N ' HD13 ' A' ' 61' ' ' LEU . 64.1 t30 -107.71 105.94 16.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.9 mt -127.03 139.13 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.64 159.97 35.38 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.555 0.693 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -24.11 30.25 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.376 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -46.47 -43.84 16.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.6 p -52.07 -44.07 64.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.9 mm -45.65 135.31 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.0 t -152.1 137.78 17.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -132.95 109.53 9.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.968 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 1' ' ' GLY . 37.4 p 34.37 43.19 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.9 0.381 . . . . 0.0 110.846 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.1 p -82.51 -45.04 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.29 160.57 10.19 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -152.27 152.08 31.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.905 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -67.83 93.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.36 105.96 0.68 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 m -83.49 165.07 19.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.5 t -118.12 -36.53 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -85.46 47.98 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.0 p -56.31 -66.8 0.37 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -85.63 -33.36 21.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -53.58 -39.63 64.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.87 -44.07 81.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 16' ' ' TYR . 14.3 mt -71.34 -60.76 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.597 ' CD1' HG13 ' A' ' 55' ' ' VAL . 9.2 t80 -36.95 -48.82 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -47.48 -50.71 22.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 19' ' ' LEU . 23.3 ttt85 -62.65 -70.35 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.683 ' H ' HD12 ' A' ' 19' ' ' LEU . 6.8 mp -33.99 -45.07 0.19 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.4 t -107.33 81.34 1.02 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.672 0.748 . . . . 0.0 111.142 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 19' ' ' LEU . 54.2 Cg_endo -69.72 161.74 44.75 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.662 2.242 . . . . 0.0 112.38 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.494 HD11 ' N ' ' A' ' 26' ' ' VAL . 6.7 tp -124.52 99.11 6.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.3 m -117.16 -33.15 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -99.88 33.91 2.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 50.54 25.33 8.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.496 HG12 ' HG3' ' A' ' 28' ' ' GLU . 67.8 t -155.09 120.06 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 111.122 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.417 ' CG ' HD13 ' A' ' 22' ' ' LEU . 27.7 mtt180 -77.34 119.29 20.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.496 ' HG3' HG12 ' A' ' 26' ' ' VAL . 49.9 mt-10 -152.69 144.51 23.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -69.54 151.03 46.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 32' ' ' ILE . 31.3 t -97.32 153.06 18.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.758 ' HA ' HD12 ' A' ' 34' ' ' LEU . 10.7 pt-20 -35.61 -31.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 30' ' ' SER . 22.9 mt -71.95 -65.94 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -42.26 -48.54 4.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' A' ' 31' ' ' GLU . 4.0 mt -54.57 -63.74 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 t -38.73 -41.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.435 ' CD ' ' O ' ' A' ' 32' ' ' ILE . 2.3 mpt_? -71.95 -65.54 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.1 mt -40.93 -35.67 0.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -52.12 -44.42 64.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -53.04 -40.79 64.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.6 mt -72.05 -21.38 61.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.65 18.41 35.34 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 57.6 mt -89.27 92.53 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 111.162 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -83.15 47.93 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -117.66 108.28 15.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.8 m -74.18 -46.73 40.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -71.76 137.97 82.84 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.594 0.711 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -12.68 33.44 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.671 2.247 . . . . 0.0 112.391 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.6 -48.07 12.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.8 p -50.19 -38.48 40.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.8 mp -53.61 141.22 26.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 52' ' ' GLU . 12.3 t -101.28 147.42 26.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' THR . 11.9 pt-20 -35.4 -36.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 51' ' ' THR . 24.3 tt0 -60.71 -60.19 4.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.48 ' N ' ' OE1' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -58.03 -41.79 83.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.597 HG13 ' CD1' ' A' ' 16' ' ' TYR . 85.2 t -52.71 -56.33 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -54.63 -42.43 71.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -61.6 -55.19 33.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.482 ' CE2' HD23 ' A' ' 19' ' ' LEU . 52.9 t80 -56.17 -16.01 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.3 16.31 18.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -102.99 -60.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 62' ' ' ASN . 1.4 pt? -55.39 -32.22 62.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.407 ' N ' ' HG ' ' A' ' 61' ' ' LEU . 23.6 t-20 -97.68 101.24 12.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.2 mm -117.24 115.54 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -94.41 144.39 27.89 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 110.863 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 66' ' ' ALA . 54.1 Cg_endo -69.75 -32.67 18.14 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.642 2.228 . . . . 0.0 112.371 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' PRO . . . -37.31 -58.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 81.8 p -59.27 -45.84 90.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.1 mm -48.43 95.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -120.67 10.39 11.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 75.4 m95 39.71 44.01 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -150.53 162.12 41.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.91 0.386 . . . . 0.0 110.836 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.2 p -159.6 171.34 19.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.25 58.06 0.41 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -160.16 106.14 1.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -80.19 102.18 9.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.96 101.99 0.33 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.466 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.1 p -174.27 122.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 0.0 110.833 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 9' ' ' THR . 14.7 t 39.18 36.14 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.17 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.441 ' NE2' ' H ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -86.36 24.91 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.1 m -93.9 -57.84 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 13' ' ' LYS . 20.2 p-10 -82.13 -50.14 9.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' ASP . 16.3 mtpp -37.01 -55.26 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.24 -57.43 8.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' TYR . 45.4 mt -50.73 -58.42 5.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' LEU . 9.0 t80 -35.14 -60.48 0.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -42.34 -53.76 4.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -57.76 -45.59 85.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.914 HD13 ' CE2' ' A' ' 58' ' ' PHE . 22.5 mt -57.59 -46.58 83.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 27' ' ' ARG . 94.3 t -108.76 81.18 1.4 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.696 0.76 . . . . 0.0 111.134 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 156.62 62.9 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.654 2.236 . . . . 0.0 112.34 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.732 HD12 ' HE ' ' A' ' 27' ' ' ARG . 1.1 tt -127.2 101.37 6.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.3 m -126.52 -27.34 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -98.89 28.96 4.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.4 11.42 9.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.2 t -151.14 124.31 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.793 0.33 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.732 ' HE ' HD12 ' A' ' 22' ' ' LEU . 97.8 mtt180 -88.3 127.38 35.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -155.53 137.65 14.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -63.35 173.41 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -122.98 163.67 19.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.576 ' HA ' HD12 ' A' ' 34' ' ' LEU . 5.1 pt-20 -43.78 -30.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.8 mt -74.4 -62.05 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -47.83 -53.64 14.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 31' ' ' GLU . 5.8 mt -48.02 -65.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 t -43.11 -35.3 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -75.55 -32.0 60.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 34' ' ' LEU . 10.5 mt -82.11 -24.65 35.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -64.73 -56.24 14.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -45.25 -49.7 12.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.2 mt -58.37 -33.58 69.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.14 19.04 9.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.4 mt -105.16 98.3 6.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.845 0.355 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -89.93 46.04 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -102.81 89.17 3.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.0 m -58.93 -49.33 78.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -68.62 135.66 90.46 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.589 0.709 . . . . 0.0 110.845 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -13.78 34.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.658 2.238 . . . . 0.0 112.315 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.2 m -81.01 -47.96 12.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.5 p -47.86 -49.12 30.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.2 mp -38.91 140.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 52' ' ' GLU . 61.3 p -114.76 157.86 22.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 51' ' ' THR . 11.1 mt-10 -34.37 -50.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -54.68 -56.12 22.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.29 -47.35 83.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.5 t -54.81 -57.81 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -46.4 -47.25 18.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -62.92 -49.18 75.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.914 ' CE2' HD13 ' A' ' 19' ' ' LEU . 39.9 t80 -56.05 -48.35 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -54.57 -52.94 60.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 59' ' ' ALA . 61.5 mtt180 -35.47 -52.04 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 60' ' ' ARG . 56.7 mt -36.27 -48.33 0.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -82.16 104.78 12.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.3 mt -111.55 109.96 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -91.63 150.66 41.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.675 0.75 . . . . 0.0 110.844 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 2.85 3.17 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.31 -27.26 7.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 68' ' ' ILE . 1.9 t -98.4 4.92 48.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.432 ' C ' ' O ' ' A' ' 67' ' ' THR . 18.6 mt -34.15 129.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.9 t -115.09 126.02 54.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.164 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 28.5 m95 -100.97 42.28 1.13 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -72.29 -46.63 54.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.855 0.36 . . . . 0.0 110.882 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -103.34 174.06 6.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.62 -44.95 3.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m 51.69 41.78 29.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.827 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 m -100.13 87.88 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.83 58.54 2.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 9' ' ' THR . 14.1 m -112.79 85.1 2.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.931 0.396 . . . . 0.0 110.865 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 9' ' ' THR . 14.5 t 36.25 38.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.089 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.586 ' HG2' ' HB2' ' A' ' 14' ' ' ALA . 21.2 tt0 -97.51 41.85 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.0 m -88.5 -50.44 6.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -91.76 -48.22 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -43.71 -51.29 7.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.586 ' HB2' ' HG2' ' A' ' 10' ' ' GLN . . . -54.57 -51.13 66.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.5 mt -57.46 -48.11 80.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -45.64 -58.02 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -40.19 -53.87 2.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -61.22 -47.65 85.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.508 HD13 ' CD2' ' A' ' 58' ' ' PHE . 11.6 mt -52.0 -48.45 64.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.1 t -109.72 80.41 1.64 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.597 0.713 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 168.01 22.77 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.635 2.223 . . . . 0.0 112.336 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.667 HD11 ' N ' ' A' ' 26' ' ' VAL . 13.5 tp -128.17 99.12 5.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.5 m -107.89 -34.21 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -105.58 36.45 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 50.96 21.75 5.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.529 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.667 ' N ' HD11 ' A' ' 22' ' ' LEU . 92.0 t -147.44 119.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 111.139 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.5 ' HG3' HD13 ' A' ' 22' ' ' LEU . 62.7 mtt-85 -76.06 134.32 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -156.03 163.7 39.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -92.05 170.39 9.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 31' ' ' GLU . 13.7 t -122.12 152.04 40.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.494 ' HA ' HD12 ' A' ' 34' ' ' LEU . 8.7 pt-20 -36.0 -40.32 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.407 HG22 ' NE ' ' A' ' 36' ' ' ARG . 49.8 mt -64.81 -62.92 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -46.05 -56.7 5.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 31' ' ' GLU . 5.3 mt -48.68 -65.74 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 t -41.77 -35.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.407 ' NE ' HG22 ' A' ' 32' ' ' ILE . 49.1 mtm180 -76.82 -43.49 36.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.408 HD21 ' CD1' ' A' ' 58' ' ' PHE . 41.3 mt -61.56 -43.63 98.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -45.06 -52.18 9.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -48.17 -47.72 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.0 -31.67 73.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.3 22.33 8.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.586 HG23 ' HD2' ' A' ' 44' ' ' LYS . 39.9 mt -98.07 97.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 111.118 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -88.2 45.45 1.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.586 ' HD2' HG23 ' A' ' 42' ' ' ILE . 27.4 mttp -110.74 112.95 25.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 43.5 p -81.36 -33.92 32.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.424 ' CG ' ' H ' ' A' ' 48' ' ' SER . 5.8 t0 -77.17 125.48 86.55 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.566 0.698 . . . . 0.0 110.891 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 2.9 3.14 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.308 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.424 ' H ' ' CG ' ' A' ' 46' ' ' ASP . 2.9 t -102.94 -38.17 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.885 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.406 HG23 ' OD2' ' A' ' 46' ' ' ASP . 22.7 p -55.92 -53.56 55.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mp -39.53 140.98 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.48 HG22 ' HG2' ' A' ' 54' ' ' GLU . 8.0 t -102.47 160.82 14.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -39.46 -43.25 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.43 -41.78 85.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.48 ' HG2' HG22 ' A' ' 51' ' ' THR . 42.8 mm-40 -77.25 -33.63 55.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.6 t -66.51 -51.56 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 11.9 ptm180 -55.91 -45.36 78.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 47.9 mtmt -61.67 -42.4 98.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.508 ' CD2' HD13 ' A' ' 19' ' ' LEU . 24.7 t80 -55.15 -39.75 69.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 62' ' ' ASN . . . -81.66 -38.39 25.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -40.46 -42.98 1.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.475 ' C ' HD12 ' A' ' 61' ' ' LEU . 2.3 pp -83.33 -28.19 29.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 59' ' ' ALA . 8.7 t30 -88.43 45.14 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.402 HG21 ' HZ3' ' A' ' 70' ' ' TRP . 23.2 mm -98.4 99.35 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -78.69 154.41 78.47 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.627 0.727 . . . . 0.0 110.851 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 2.45 3.51 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.83 -11.71 16.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 68' ' ' ILE . 1.9 t -111.97 4.86 18.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.774 HG23 ' CE2' ' A' ' 70' ' ' TRP . 18.6 mt -34.04 126.96 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.605 ' O ' HG22 ' A' ' 69' ' ' THR . 20.1 m -127.09 31.84 5.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.774 ' CE2' HG23 ' A' ' 68' ' ' ILE . 36.9 p90 -127.32 22.18 6.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 -179.944 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -116.38 81.55 1.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.7 p -132.94 151.75 52.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.09 162.54 7.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.3 p -82.96 91.69 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.809 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.8 p -113.34 -42.65 3.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.26 176.63 12.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t -109.96 166.29 11.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.96 0.41 . . . . 0.0 110.843 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 9' ' ' THR . 14.5 t -117.14 38.55 3.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.118 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.11 24.12 1.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.7 m -78.58 -52.3 8.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.185 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.59 -52.28 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -45.2 -46.54 12.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.75 -48.51 29.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.05 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.437 HD22 ' HB1' ' A' ' 59' ' ' ALA . 6.3 mp -70.7 -57.12 5.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.733 ' CD1' HG13 ' A' ' 55' ' ' VAL . 3.0 t80 -36.72 -41.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -65.94 -58.87 4.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -52.31 -47.39 65.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.789 HD13 ' CE2' ' A' ' 58' ' ' PHE . 49.7 mt -58.66 -50.29 74.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.6 t -116.16 81.17 10.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.578 0.704 . . . . 0.0 111.148 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 165.96 29.16 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.587 HD12 ' HE ' ' A' ' 27' ' ' ARG . 1.1 tt -129.19 103.32 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 24' ' ' ASN . 24.1 m -125.81 -41.23 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.409 ' N ' HG23 ' A' ' 23' ' ' VAL . 5.9 m-20 -81.62 15.58 2.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.434 ' C ' HD21 ' A' ' 22' ' ' LEU . . . 72.47 1.2 51.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.5 p -140.06 126.92 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.779 0.323 . . . . 0.0 111.153 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.587 ' HE ' HD12 ' A' ' 22' ' ' LEU . 95.5 mtt180 -89.09 119.63 29.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -138.14 137.99 38.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.437 ' HB2' HD21 ' A' ' 34' ' ' LEU . 85.4 m-85 -68.98 -177.75 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.2 m -135.21 157.01 48.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.5 ' HA ' HD12 ' A' ' 34' ' ' LEU . 11.1 pt-20 -41.15 -41.8 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.8 mm -64.14 -63.93 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -48.19 -49.02 34.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 31' ' ' GLU . 4.1 mt -58.68 -60.14 4.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 t -45.69 -21.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -95.48 -33.23 12.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.549 ' HA ' HD12 ' A' ' 40' ' ' LEU . 14.9 mt -70.74 -35.43 72.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -49.26 -53.96 19.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -45.81 -49.97 14.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 37' ' ' LEU . 12.2 mt -58.11 -27.09 63.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.22 22.34 30.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.647 HG22 ' HB2' ' A' ' 44' ' ' LYS . 89.4 mt -80.05 -44.81 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 111.099 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 39.77 53.36 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.647 ' HB2' HG22 ' A' ' 42' ' ' ILE . 19.4 mttm -124.67 105.29 9.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.9 p -82.71 44.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.417 ' OD2' HG23 ' A' ' 49' ' ' THR . 9.5 t0 -157.59 124.14 2.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.589 0.709 . . . . 0.0 110.854 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 1.73 4.15 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 0.0 112.362 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m -99.77 -37.04 9.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.417 HG23 ' OD2' ' A' ' 46' ' ' ASP . 43.4 p -65.34 -51.93 57.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mp -41.65 128.02 3.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.457 ' HG1' ' CD ' ' A' ' 54' ' ' GLU . 26.1 p -96.08 160.54 14.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 51' ' ' THR . 28.6 mt-10 -34.52 -50.8 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -55.03 -47.77 74.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.457 ' CD ' ' HG1' ' A' ' 51' ' ' THR . 2.4 mp0 -69.84 -28.89 66.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.733 HG13 ' CD1' ' A' ' 16' ' ' TYR . 89.4 t -70.86 -51.79 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -63.43 -40.22 96.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -63.14 -45.91 89.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.789 ' CE2' HD13 ' A' ' 19' ' ' LEU . 15.1 t80 -59.65 -33.31 71.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -70.46 -43.31 70.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 59' ' ' ALA . 16.5 mmt180 -35.6 -53.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.4 mt -41.9 -56.51 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -75.87 82.69 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.7 mt -78.8 87.05 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -72.51 150.22 91.32 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.643 0.735 . . . . 0.0 110.9 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 68' ' ' ILE . 53.3 Cg_endo -69.78 -36.28 11.05 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.71 2.274 . . . . 0.0 112.312 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -42.42 -36.1 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.05 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.6 p -71.38 -36.35 71.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.681 HG23 ' CD1' ' A' ' 70' ' ' TRP . 51.0 mm -56.6 97.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.1 44.1 2.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.681 ' CD1' HG23 ' A' ' 68' ' ' ILE . 51.2 p-90 -126.94 27.78 5.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.0 p -95.0 139.71 30.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.872 0.368 . . . . 0.0 110.826 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 t -71.88 -57.34 4.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.04 -140.38 6.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 m -129.65 164.08 24.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.878 0.371 . . . . 0.0 110.864 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -106.99 -56.16 2.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.98 117.94 0.51 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.2 t -140.88 162.3 35.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.938 0.399 . . . . 0.0 110.809 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.414 HG23 ' N ' ' A' ' 10' ' ' GLN . 12.3 t -56.07 -39.94 72.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.414 ' N ' HG23 ' A' ' 9' ' ' THR . 36.5 mt-30 -67.11 77.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.574 ' O ' HD13 ' A' ' 15' ' ' LEU . 92.2 m -81.94 -42.39 19.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -104.67 -42.03 5.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -53.22 -41.63 65.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.7 -62.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 11' ' ' THR . 9.6 mp -50.13 -46.8 54.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.612 ' CD1' HG13 ' A' ' 55' ' ' VAL . 4.9 t80 -39.58 -58.63 1.26 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -50.0 -44.34 51.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -62.63 -45.11 94.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.61 -44.85 92.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.8 t -111.7 80.88 3.06 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.71 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 152.24 69.28 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.664 2.243 . . . . 0.0 112.328 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.549 ' CD1' ' C ' ' A' ' 26' ' ' VAL . 12.3 tp -107.22 89.01 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.1 m -109.69 -30.53 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.497 ' O ' HG12 ' A' ' 26' ' ' VAL . 14.7 m-20 -104.98 37.86 2.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.94 34.32 22.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.549 ' C ' ' CD1' ' A' ' 22' ' ' LEU . 8.1 p -165.94 135.33 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 111.137 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.449 ' HG3' HD13 ' A' ' 22' ' ' LEU . 29.3 mtm180 -86.42 37.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -66.57 129.96 41.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -60.87 173.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -118.43 156.0 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.582 ' HA ' HD12 ' A' ' 34' ' ' LEU . 5.2 pt-20 -45.19 -36.68 3.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.7 mt -71.52 -51.8 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -56.26 -37.0 69.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.598 HD22 HG22 ' A' ' 45' ' ' THR . 4.0 mt -72.89 -60.73 2.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -44.31 -37.47 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.546 ' HD3' HD11 ' A' ' 61' ' ' LEU . 3.0 ptp180 -78.51 -29.9 46.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 34' ' ' LEU . 8.0 mt -66.81 -45.52 78.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -44.22 -52.85 7.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.471 ' HE2' ' N ' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -42.33 -50.68 5.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mt -63.6 -32.07 73.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.69 26.33 8.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.447 ' O ' HG22 ' A' ' 42' ' ' ILE . 39.0 mt -98.72 85.85 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 111.146 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -70.91 68.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.492 ' HB3' HD12 ' A' ' 50' ' ' LEU . 17.6 mttp -145.45 129.94 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.598 HG22 HD22 ' A' ' 34' ' ' LEU . 81.2 p -118.62 18.3 13.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.64 133.61 22.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 110.83 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -1.36 8.31 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.1 m -109.82 -37.53 5.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.1 p -59.28 -53.02 63.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.492 HD12 ' HB3' ' A' ' 44' ' ' LYS . 6.0 mp -44.43 136.29 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 54' ' ' GLU . 8.8 t -104.38 154.95 19.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 53' ' ' GLU . 15.3 pt-20 -36.37 -47.62 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.481 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 15.4 tt0 -53.7 -44.85 70.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 51' ' ' THR . 92.7 mt-10 -74.76 -37.8 62.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.612 HG13 ' CD1' ' A' ' 16' ' ' TYR . 92.5 t -58.61 -55.66 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 9.3 ptm180 -52.92 -46.37 68.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 26.6 mtmt -64.24 -45.8 86.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.28 -37.62 86.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.37 -39.45 59.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.3 mtt-85 -55.08 -62.58 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.546 HD11 ' HD3' ' A' ' 36' ' ' ARG . 1.1 pp -38.13 -39.44 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -100.61 102.45 13.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 61.7 mt -99.65 116.25 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -62.15 139.85 96.09 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.869 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.64 ' HA ' HD11 ' A' ' 68' ' ' ILE . 53.7 Cg_endo -69.75 3.05 2.99 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.729 2.286 . . . . 0.0 112.338 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -110.67 -10.75 14.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 68' ' ' ILE . 5.7 p -134.96 25.3 3.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.64 HD11 ' HA ' ' A' ' 65' ' ' PRO . 2.3 mp -32.22 135.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.1 p -123.27 86.7 2.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -55.43 -45.94 76.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -86.97 -44.09 11.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.859 0.361 . . . . 0.0 110.858 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 m -56.05 -51.02 69.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.75 171.51 37.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 t -163.21 170.63 17.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.893 0.378 . . . . 0.0 110.891 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -90.35 114.08 26.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.7 54.53 0.1 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 m -133.38 151.62 51.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.4 . . . . 0.0 110.89 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.4 t -115.27 28.77 8.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -99.03 44.65 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.4 m -94.6 -49.43 5.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -88.83 -43.35 11.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -50.25 -51.39 44.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.61 -48.61 66.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.31 -43.32 96.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -49.78 -59.2 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -43.38 -54.4 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -59.68 -52.13 66.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.8 mt -52.12 -38.98 59.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.5 t -114.92 80.78 6.95 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 0.0 111.114 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 168.03 22.83 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.677 2.251 . . . . 0.0 112.36 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.475 HD22 ' HG3' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -93.84 111.96 23.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.9 m -124.1 131.86 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 56.04 39.04 30.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.19 23.49 59.82 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.8 p -153.47 151.15 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.136 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.475 ' HG3' HD22 ' A' ' 22' ' ' LEU . 88.4 mtt180 -109.28 119.04 38.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -135.18 138.76 43.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -72.87 113.19 9.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -59.53 170.55 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.645 ' HA ' HD12 ' A' ' 34' ' ' LEU . 2.3 tp10 -56.64 -43.54 80.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.2 mm -63.39 -34.51 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.488 ' OE1' ' CZ ' ' A' ' 58' ' ' PHE . 5.9 mm100 -70.84 -49.28 47.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.825 HD22 HG22 ' A' ' 45' ' ' THR . 4.0 mt -57.54 -64.25 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 34' ' ' LEU . 3.2 t -37.24 -28.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 34' ' ' LEU . 34.6 mtp85 -85.19 -42.62 14.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.558 ' HG ' ' CE1' ' A' ' 58' ' ' PHE . 36.5 mt -61.22 -32.66 72.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 41' ' ' GLY . 21.7 mtmm -65.14 -49.73 68.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -44.09 -49.33 8.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.5 mt -63.82 -25.74 68.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 95.26 18.38 33.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.461 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.64 HG22 ' HB2' ' A' ' 44' ' ' LYS . 44.6 mt -69.51 -50.67 48.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 111.089 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 62.12 41.45 10.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.64 ' HB2' HG22 ' A' ' 42' ' ' ILE . 20.8 mtmm -127.76 109.05 11.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.825 HG22 HD22 ' A' ' 34' ' ' LEU . 79.4 p -94.55 29.5 2.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.405 ' HB3' HG23 ' A' ' 49' ' ' THR . 15.1 t70 -136.43 130.59 18.13 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.655 0.74 . . . . 0.0 110.854 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -2.65 10.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.331 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -104.85 -30.12 10.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.436 ' O ' ' CD ' ' A' ' 44' ' ' LYS . 70.7 p -75.03 -12.92 60.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -83.52 133.33 34.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 52' ' ' GLU . 14.6 t -102.01 160.52 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' THR . 37.2 mt-10 -37.87 -40.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -61.17 -50.33 73.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.45 ' HB3' HD13 ' A' ' 42' ' ' ILE . 6.1 mm-40 -71.32 -26.26 62.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.6 t -73.01 -51.33 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 57' ' ' LYS . 24.0 ptt180 -59.52 -42.95 93.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.478 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 20.1 mtpp -65.01 -45.23 86.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.558 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 8.6 t80 -64.2 -42.68 96.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.84 -38.59 86.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -40.69 -49.58 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.1 mt -38.33 -46.07 1.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -90.45 106.76 18.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.5 mt -104.01 122.66 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.16 153.89 94.17 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.554 0.692 . . . . 0.0 110.859 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -6.5 18.73 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.668 2.246 . . . . 0.0 112.355 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -107.92 -13.79 14.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 68' ' ' ILE . 1.4 t -111.95 5.84 19.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.861 HG23 ' CD1' ' A' ' 70' ' ' TRP . 19.0 mt -34.08 101.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.6 t -108.56 28.37 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.861 ' CD1' HG23 ' A' ' 68' ' ' ILE . 36.0 p-90 -121.26 29.53 7.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.7 tm0? . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.892 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 p -115.71 118.11 32.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.877 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -101.66 42.22 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.51 102.55 0.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.9 p -120.63 167.88 11.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -141.66 150.27 41.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 122.05 -78.65 0.34 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.505 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 7' ' ' GLY . 42.4 m -34.95 131.21 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.895 0.379 . . . . 0.0 110.9 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.4 t -53.43 -19.36 3.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 41.17 45.38 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.0 m -124.27 -56.97 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.27 -44.06 11.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -64.04 -44.34 92.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.04 -57.86 5.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' TYR . 9.5 mp -63.72 -48.06 78.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.553 ' CD1' HG13 ' A' ' 55' ' ' VAL . 3.7 t80 -35.98 -42.87 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -63.42 -54.11 41.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.1 mtp85 -56.28 -37.71 70.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.538 HD11 ' HA ' ' A' ' 59' ' ' ALA . 8.5 mt -66.64 -52.18 47.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.3 t -109.8 74.86 0.78 Allowed Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.582 0.706 . . . . 0.0 111.1 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 161.35 46.27 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.616 HD11 ' C ' ' A' ' 25' ' ' GLY . 6.4 tp -102.86 98.06 8.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.622 HG23 ' N ' ' A' ' 24' ' ' ASN . 29.4 m -104.45 -52.39 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.622 ' N ' HG23 ' A' ' 23' ' ' VAL . 26.3 m120 -99.64 40.65 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.616 ' C ' HD11 ' A' ' 22' ' ' LEU . . . 56.83 15.29 12.28 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.568 ' N ' HD11 ' A' ' 22' ' ' LEU . 51.8 t -133.69 135.18 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.532 ' HG2' HD13 ' A' ' 22' ' ' LEU . 14.5 mmt180 -91.97 33.6 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.5 ' H ' HG12 ' A' ' 26' ' ' VAL . 11.0 pt-20 -78.03 127.8 32.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -50.64 171.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 t -106.43 164.34 12.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.751 ' HA ' HD12 ' A' ' 34' ' ' LEU . 8.7 pt-20 -49.6 -34.39 17.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.4 mt -71.77 -52.59 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 19' ' ' LEU . 92.9 mt-30 -54.25 -52.68 60.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 31' ' ' GLU . 5.2 mt -47.94 -67.46 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' LEU . 2.3 t -38.17 -35.06 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -77.84 -49.84 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.7 mt -51.51 -35.94 42.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -64.7 -28.02 69.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.83 -48.81 67.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.64 -32.95 74.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.62 23.29 6.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 65.0 mt -93.6 88.47 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.348 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -72.83 67.69 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.0 mttt -135.81 167.94 20.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.8 p -132.15 -39.41 1.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.413 ' O ' HD23 ' A' ' 50' ' ' LEU . 2.9 m-20 -89.7 142.71 29.47 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.542 0.687 . . . . 0.0 110.943 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -21.2 33.74 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 95.2 p -70.57 -37.35 73.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.3 p -67.23 -30.1 69.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.435 ' CD1' ' HB3' ' A' ' 54' ' ' GLU . 3.5 mm? -54.5 145.06 19.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.672 ' O ' HG23 ' A' ' 55' ' ' VAL . 30.1 p -109.32 168.97 9.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -52.09 -40.53 61.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.422 ' HG2' ' NZ ' ' A' ' 57' ' ' LYS . 7.5 tt0 -62.93 -50.12 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.493 ' N ' ' CD ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -64.69 -37.35 87.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 51' ' ' THR . 85.0 t -65.13 -59.01 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -54.39 -24.68 20.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.422 ' NZ ' ' HG2' ' A' ' 53' ' ' GLU . 19.7 mtmm -83.63 -49.14 9.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.401 ' HA ' HD23 ' A' ' 61' ' ' LEU . 48.0 t80 -64.21 -23.67 67.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.538 ' HA ' HD11 ' A' ' 19' ' ' LEU . . . -75.72 -9.01 58.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.479 ' HG2' ' N ' ' A' ' 61' ' ' LEU . 2.4 ptm180 -89.99 -35.5 15.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.479 ' N ' ' HG2' ' A' ' 60' ' ' ARG . 4.2 mm? -38.22 -39.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -103.97 83.38 2.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 19.2 mt -69.1 102.11 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.49 ' O ' ' CG2' ' A' ' 67' ' ' THR . 3.0 m-20 -98.95 150.98 37.19 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.627 0.727 . . . . 0.0 110.858 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 68' ' ' ILE . 53.3 Cg_endo -69.76 -49.43 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 65' ' ' PRO . . . -35.96 -57.11 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.061 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 64' ' ' ASP . 1.8 t -55.01 -39.89 69.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.479 HG23 ' CD1' ' A' ' 70' ' ' TRP . 40.3 mm -52.86 98.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.564 ' O ' HG22 ' A' ' 69' ' ' THR . 20.8 m -132.07 41.12 3.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.533 ' CE3' ' N ' ' A' ' 71' ' ' GLN . 52.2 p-90 -96.52 -39.71 9.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.533 ' N ' ' CE3' ' A' ' 70' ' ' TRP . 21.5 pt20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -89.6 141.76 28.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.365 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -174.16 128.37 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.75 142.7 3.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.1 p -87.41 102.14 14.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.83 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -68.66 165.71 18.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.68 -117.89 0.67 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.522 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.9 m -100.22 79.06 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.967 0.413 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.675 ' OG1' ' HB2' ' A' ' 14' ' ' ALA . 1.3 t -80.23 153.98 28.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.447 ' HB2' ' CB ' ' A' ' 13' ' ' LYS . 7.4 mt-30 -88.64 146.04 25.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.743 ' O ' HD23 ' A' ' 15' ' ' LEU . 34.5 m -50.7 -49.87 56.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -81.48 -57.93 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' CB ' ' HB2' ' A' ' 10' ' ' GLN . 24.8 ttpt -42.16 -52.88 4.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.675 ' HB2' ' OG1' ' A' ' 9' ' ' THR . . . -60.88 -40.37 92.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 11' ' ' THR . 0.6 OUTLIER -60.19 -51.05 71.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.412 ' HA ' HD12 ' A' ' 19' ' ' LEU . 12.1 t80 -61.98 -52.29 64.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -49.07 -40.46 31.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -76.73 -46.08 26.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 16' ' ' TYR . 6.1 mt -46.24 -50.1 16.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -108.39 82.08 1.52 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.647 0.736 . . . . 0.0 111.107 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 149.74 67.2 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.685 2.256 . . . . 0.0 112.369 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.517 HD21 ' N ' ' A' ' 26' ' ' VAL . 1.3 tm? -124.85 102.62 7.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.1 m -130.59 -31.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -82.7 -9.05 59.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.7 12.82 52.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.517 ' N ' HD21 ' A' ' 22' ' ' LEU . 11.3 t -147.12 107.42 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.133 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.506 ' CA ' HD23 ' A' ' 22' ' ' LEU . 73.6 mtt180 -75.93 115.02 15.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -147.73 143.74 27.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -67.39 171.14 6.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 t -103.75 166.32 10.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.467 ' HA ' HD12 ' A' ' 34' ' ' LEU . 3.5 tt0 -49.59 -52.77 27.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 mm -60.78 -44.76 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.165 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.701 ' O ' HD12 ' A' ' 37' ' ' LEU . 67.0 mt-30 -58.43 -34.59 70.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' LEU . 6.3 mt -77.24 -66.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t -44.43 -31.26 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -82.7 -29.27 29.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.701 HD12 ' O ' ' A' ' 33' ' ' GLN . 5.6 mt -73.81 -38.34 64.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -45.19 -51.71 10.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.12 -53.25 6.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.658 HD11 HD11 ' A' ' 61' ' ' LEU . 11.4 mt -59.56 -30.3 68.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.95 23.78 11.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.476 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.481 ' O ' HG22 ' A' ' 42' ' ' ILE . 90.6 mt -94.11 86.07 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 111.162 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -79.95 44.99 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -119.04 103.67 9.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 57.6 m -77.06 -46.76 22.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -57.4 126.45 74.77 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.595 0.712 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -3.27 11.69 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.6 m -96.1 -44.35 7.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 34.3 p -53.38 -46.02 69.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.117 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.9 mp -48.55 134.33 15.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.499 ' O ' HG23 ' A' ' 55' ' ' VAL . 67.3 p -100.07 179.44 4.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -50.46 -45.24 55.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -60.42 -56.39 22.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -53.75 -43.12 68.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 51' ' ' THR . 96.2 t -64.11 -59.63 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.089 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -45.06 -44.5 10.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -63.8 -65.73 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -40.0 -49.3 2.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -49.53 -51.49 36.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' LEU . 65.7 mtp180 -34.71 -65.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.658 HD11 HD11 ' A' ' 40' ' ' LEU . 7.7 mt -34.39 -51.8 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -82.71 105.43 13.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.2 mt -111.79 106.33 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -80.73 149.93 68.57 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -44.22 2.21 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.12 -54.0 50.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.5 HG21 HD21 ' A' ' 15' ' ' LEU . 29.0 p -42.42 -42.3 3.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 30.4 mm -41.75 114.76 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.2 p -149.47 112.96 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.14 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -87.28 -43.59 12.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.996 . . . . . . . . 0 0 . 1 stop_ save_